MCULE-3042673985
- 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 | 14 USD | 97 | 20 working days | Get Quote |
| 5 mg | 14 USD | 97 | 20 working days | Get Quote |
| 10 mg | 14 USD | 97 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3042673985.sdf |
| SMILES | MCULE-3042673985.smiles |
| Standard InChI | MCULE-3042673985.inchi |
| InChIKey | MCULE-3042673985.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867581210 | 95 | As is | in stock |
| P-875740245 | 95 | As is | in stock |
| P-1275167728 | 95 | As is | in stock |
| P-903070562 | 97 | As is | 100 g |
| P-1270356139 | 95 | As is | in stock |
| P-606886687 | N/A | As is | in stock |
| P-489189974 | 97 | As is | in stock |
| P-596952633 | 97 | As is | 25 g |
| P-1275496654 | 95 | As is | 70 g |
| P-864141996 | 95 | As is | in stock |
| P-605416095 | 95 | As is | 137.365 g |
| P-868613311 | 98 | As is | in stock |
| P-580302908 | 95 | As is | by resynthesis (? - ? days) |
| P-889360663 | 95 | As is | 34.46 g |
| P-1264364878 | 95 | As is | 2 g |
| P-563447988 | 95 | As is | 937 mg |
| P-855993928 | 95 | As is | 937 mg |
| P-31257376 | 90 | As is | 500 mg |
| P-580479342 | N/A | As is | by synthesis |
| P-1272602591 | N/A | As is | 5 g |
| P-852602210 | N/A | As is | by synthesis |
| P-1263152086 | 95 | As is | in stock |
| P-902977745 | 95 | As is | by synthesis |
| P-500402088 | 98 | As is | by synthesis |
| P-1274327955 | 95 | As is | in stock |
| P-869112709 | 95 | As is | 4.894 g |
| P-1274332495 | 95 | As is | 500 mg |
| P-888630074 | 95 | As is | 500 mg |
| P-502329018 | 90 | As is | in stock |
| P-33163658 | 90 | As is | 988 mg |
| P-906776851 | 96 | As is | by synthesis |
| P-611360426 | 90 | As is | in stock |
| P-886917461 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.226 |
| logP | 2.1379 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 38.69 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.555 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

