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UNKNOWN STEREO
MCULE-4254920280-0
Structure
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- 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 | 136 USD | 95 | 7 working days | Get Quote |
| 5 mg | 349 USD | 98 | 12 working days | Get Quote |
| 10 mg | 630 USD | 98 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4254920280-0.sdf |
| SMILES | MCULE-4254920280-0.smiles |
| Standard InChI | MCULE-4254920280-0.inchi |
| InChIKey | MCULE-4254920280-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648776 | 98 | As is | in stock |
| P-875816914 | N/A | As is | in stock |
| P-595215863 | 95 | As is | by resynthesis (? - ? days) |
| P-580192888 | 98 | As is | in stock |
| P-891647742 | N/A | As is | by synthesis |
| P-895102933 | 98 | As is | 50 mg |
| P-1275490437 | 95 | As is | in stock |
| P-1263667032 | 95 | As is | in stock |
| P-1274332465 | 95 | As is | unavailable |
| P-869111451 | 95 | As is | 2 mg |
| P-888629363 | 95 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 588.476 |
| logP | 7.8904 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 93.45 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 162.055 |
| Atoms | 68 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 27 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
