MCULE-9141342964
- 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 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9141342964.sdf |
| SMILES | MCULE-9141342964.smiles |
| Standard InChI | MCULE-9141342964.inchi |
| InChIKey | MCULE-9141342964.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867573974 | 98 | As is | in stock |
| P-875734074 | 98 | As is | in stock |
| P-1275153681 | 95 | As is | in stock |
| P-1275190825 | 98 | As is | in stock |
| P-903063557 | 98 | As is | 900 g |
| P-1270329622 | 98 | As is | in stock |
| P-606879171 | N/A | As is | in stock |
| P-596983245 | 98 | As is | 1000 g |
| P-494342910 | 95 | As is | by resynthesis (? - ? days) |
| P-864138706 | 97 | As is | in stock |
| P-605414071 | 98 | As is | 135 g |
| P-893222944 | 95 | As is | in stock |
| P-851279732 | 95 | As is | by synthesis |
| P-868576793 | 98 | As is | in stock |
| P-34609599 | 90 | As is | by synthesis |
| P-580783902 | 90 | As is | by resynthesis (? - ? days) |
| P-580771566 | 90 | As is | in stock |
| P-580300990 | 95 | As is | by resynthesis (? - ? days) |
| P-905314688 | 97 | As is | 58.2 g |
| P-505525920 | 95 | As is | in stock |
| P-502528430 | 95 | As is | by synthesis |
| P-454287446 | 90 | As is | 912 mg |
| P-31257630 | 90 | As is | unavailable |
| P-580475888 | N/A | As is | by synthesis |
| P-888885633 | N/A | As is | in stock |
| P-491136193 | 95 | As is | by synthesis |
| P-33471023 | 90 | As is | in stock |
| P-502348147 | 90 | As is | in stock |
| P-906904335 | 98 | As is | in stock |
| P-611379938 | 90 | As is | in stock |
| P-893948666 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.227 |
| logP | 1.7469 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 20.31 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.533 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

