MCULE-8052711911
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 20 working days | Get Quote |
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1
MCULE-2132009026
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8052711911.sdf |
| SMILES | MCULE-8052711911.smiles |
| Standard InChI | MCULE-8052711911.inchi |
| InChIKey | MCULE-8052711911.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489148935 | 97 | As is | in stock |
| P-524197172 | 95 | As is | 5 g |
| P-563384652 | 97 | As is | 1000 mg |
| P-906781420 | 98 | As is | by synthesis |
| P-1270509320 | N/A | Main component | by synthesis |
| P-867626447 | 95 | Main component | in stock |
| P-1265821847 | 97 | Main component | in stock |
| P-1268957773 | N/A | Main component | by synthesis |
| P-1275177374 | 98 | Main component | in stock |
| P-1275158738 | 95 | Main component | in stock |
| P-905478481 | 98 | Main component | 1000 g |
| P-580239692 | 95 | Main component | by synthesis |
| P-617064475 | 98 | Main component | in stock |
| P-606909426 | N/A | Main component | in stock |
| P-489108331 | 97 | Main component | in stock |
| P-1271946875 | 98 | Main component | 2 kg |
| P-494332658 | 95 | Main component | by resynthesis (? - ? days) |
| P-864096997 | 95 | Main component | in stock |
| P-580705583 | 95 | Main component | 2.5 kg |
| P-893220919 | 95 | Main component | in stock |
| P-454714132 | 90 | Main component | in stock |
| P-436462775 | 95 | Main component | in stock |
| P-868597250 | 98 | Main component | in stock |
| P-579717889 | 95 | Main component | in stock |
| P-905438940 | 98 | Main component | 5.87655 kg |
| P-1275226607 | 98 | Main component | 25 g |
| P-870647418 | N/A | Main component | in stock |
| P-870647486 | N/A | Main component | in stock |
| P-870648019 | N/A | Main component | in stock |
| P-502533067 | 95 | Main component | by synthesis |
| P-492243177 | 95 | Main component | in stock |
| P-524162333 | 95 | Main component | 1000 mg |
| P-454393221 | 95 | Main component | 100 g |
| P-454301546 | 95 | Main component | 100 mg |
| P-608085684 | 98 | Main component | in stock |
| P-611662652 | 98 | Main component | in stock |
| P-852433552 | N/A | Main component | by synthesis |
| P-428001784 | 90 | Main component | in stock |
| P-902988732 | 95 | Main component | by synthesis |
| P-620223989 | 95 | Main component | 1000 mg |
| P-620069270 | 90 | Main component | 1000 mg |
| P-885524239 | 95 | Main component | by synthesis |
| P-424838874 | 90 | Main component | in stock |
| P-1274329324 | 95 | Main component | in stock |
| P-1274336914 | 95 | Main component | unavailable |
| P-1274348805 | 95 | Main component | 99.994 g |
| P-1274359187 | 95 | Main component | 99.994 g |
| P-1272895388 | 94 | Main component | by resynthesis (? - ? days) |
| P-906760499 | 99 | Main component | by synthesis |
| P-906769481 | 98 | Main component | by synthesis |
| P-906769869 | 99 | Main component | by synthesis |
| P-611442492 | 90 | Main component | in stock |
| P-611441659 | 90 | Main component | in stock |
| P-3006638 | 90 | Main component | 1.164 g |
| P-3229123 | 90 | Main component | 1.164 g |
| P-1271677619 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 139.579 |
| logP | 1.3106 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.7862 |
| Atoms | 18 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

