MCULE-1445834989
- 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 | 102 USD | 98 | 22 working days | Get Quote |
| 5 mg | 234 USD | 98 | 16 working days | Get Quote |
| 10 mg | 351 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1445834989.sdf |
| SMILES | MCULE-1445834989.smiles |
| Standard InChI | MCULE-1445834989.inchi |
| InChIKey | MCULE-1445834989.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867542285 | 98 | As is | in stock |
| P-875698886 | 98 | As is | in stock |
| P-869344996 | 95 | As is | by resynthesis (? - ? days) |
| P-903022194 | 98 | As is | 100 mg |
| P-1264057264 | 99 | As is | in stock |
| P-1274443872 | 90 | As is | 1.14 g |
| P-1270273286 | 98 | As is | in stock |
| P-872714506 | N/A | As is | in stock |
| P-865903827 | 98 | As is | 25 mg |
| P-901335265 | 95 | As is | in stock |
| P-893625648 | 95 | As is | by synthesis |
| P-901409592 | 98 | As is | 50 mg |
| P-855984308 | 90 | As is | 1 mg |
| P-1267000633 | 95 | As is | in stock |
| P-885542467 | 95 | As is | by synthesis |
| P-1274333813 | 95 | As is | unavailable |
| P-869146485 | 95 | As is | 41 mg |
| P-888648897 | 95 | As is | 36 mg |
| P-906793448 | 90 | As is | by synthesis |
| P-1271720405 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 464.848 |
| logP | 4.844 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 88.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 117.4575 |
| Atoms | 50 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 17 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

