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MCULE-1002124992-0
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 | 54 USD | 95 | 10 working days | Get Quote |
| 5 mg | 68 USD | 95 | 10 working days | Get Quote |
| 10 mg | 92 USD | 95 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1002124992-0.sdf |
| SMILES | MCULE-1002124992-0.smiles |
| Standard InChI | MCULE-1002124992-0.inchi |
| InChIKey | MCULE-1002124992-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852097767 | 95 | As is | by synthesis |
| P-901197262 | N/A | As is | by synthesis |
| P-615712729 | 95 | As is | in stock |
| P-454626478 | 90 | As is | in stock |
| P-580277456 | 95 | As is | by resynthesis (? - ? days) |
| P-502486446 | 95 | As is | by synthesis |
| P-454376285 | 95 | As is | 43.989 g |
| P-18676617 | 95 | As is | 43.989 g |
| P-856029067 | 90 | As is | 500 mg |
| P-852411861 | N/A | As is | in stock |
| P-863973712 | 95 | As is | by synthesis |
| P-855304374 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 384.247 |
| logP | 3.895 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 85.9105 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
