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MCULE-9695347953
Compound
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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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9695347953.sdf |
| SMILES | MCULE-9695347953.smiles |
| Standard InChI | MCULE-9695347953.inchi |
| InChIKey | MCULE-9695347953.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-6419545 | 90 | As is | 20 mg |
| P-502614699 | 90 | As is | in stock |
| P-1275297213 | 90 | As is | 51 mg |
| P-12542822 | 90 | As is | 50 mg |
| P-18887369 | 90 | As is | in stock |
| P-23542770 | 90 | As is | 15 mg |
| P-907200209 | 94 | As is | by resynthesis (? - ? days) |
| P-2294667 | 90 | As is | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 467.539 |
| logP | 3.1722 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 133.05 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 127.0589 |
| Atoms | 58 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 25 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
