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MCULE-5451639759
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-7947418385
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5451639759.sdf |
| SMILES | MCULE-5451639759.smiles |
| Standard InChI | MCULE-5451639759.inchi |
| InChIKey | MCULE-5451639759.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-596432639 | 90 | As is | 24 mg |
| P-449233640 | 90 | As is | 20 mg |
| P-34829995 | 90 | As is | by synthesis |
| P-903639765 | 94 | As is | by resynthesis (? - ? days) |
| P-22633555 | 90 | As is | 2 mg |
| P-675078273 | 90 | As a main component | in stock |
| P-617758994 | 90 | As a main component | 355 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.299 |
| logP | 2.9507 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 51.22 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.1767 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
