MCULE-5050089759
- 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 | 31 USD | 98 | 16 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 83 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5050089759.sdf |
| SMILES | MCULE-5050089759.smiles |
| Standard InChI | MCULE-5050089759.inchi |
| InChIKey | MCULE-5050089759.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867620965 | N/A | As is | in stock |
| P-875782919 | N/A | As is | in stock |
| P-869279978 | 95 | As is | by resynthesis (? - ? days) |
| P-903129607 | 98 | As is | 800 mg |
| P-893606678 | 90 | As is | 1.24 g |
| P-1270395233 | 98 | As is | in stock |
| P-1264200802 | N/A | As is | by synthesis |
| P-489178556 | 97 | As is | in stock |
| P-865917234 | 98 | As is | 100 mg |
| P-1273259379 | 95 | As is | by resynthesis (? - ? days) |
| P-889592914 | 95 | As is | in stock |
| P-896540248 | 99 | As is | in stock |
| P-1264197580 | 98 | As is | by synthesis |
| P-901431753 | 95 | As is | by synthesis |
| P-851250673 | 95 | As is | by synthesis |
| P-887322696 | 95 | As is | by synthesis |
| P-868660001 | 95 | As is | in stock |
| P-870659886 | N/A | As is | in stock |
| P-1273110391 | 97 | As is | 100 mg |
| P-852523658 | 95 | As is | by synthesis |
| P-854721185 | 95 | As is | in stock |
| P-904640835 | 95 | As is | by synthesis |
| P-871075055 | 95 | As is | in stock |
| P-878644225 | 98 | As is | in stock |
| P-491318679 | 95 | As is | by synthesis |
| P-892291721 | 95 | As is | unavailable |
| P-869128761 | 95 | As is | 196 mg |
| P-888641335 | 95 | As is | 196 mg |
| P-611439519 | 90 | As is | in stock |
| P-1271668291 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 286.354 |
| logP | 3.7332 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 87.19 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 82.5594 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |

