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MCULE-2542586158
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.
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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 | 155 USD | 95 | 10 working days | Get Quote |
| 5 mg | 155 USD | 95 | 10 working days | Get Quote |
| 10 mg | 200 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-2903737922
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2542586158.sdf |
| SMILES | MCULE-2542586158.smiles |
| Standard InChI | MCULE-2542586158.inchi |
| InChIKey | MCULE-2542586158.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860056885 | 95 | As is | by synthesis |
| P-893256126 | 95 | As is | by synthesis |
| P-888621708 | 95 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 3357.885 |
| logP | 5.0709 |
| H-bond acceptors | 86 |
| H-bond donors | 52 |
| Rotatable bonds | 146 |
| PSA | 1472.2 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 856.2186 |
| Atoms | 482 |
| Rings | 3 |
| Heavy atoms | 236 |
| Hydrogen atoms | 246 |
| Heteroatoms | 87 |
| N/O atoms | 86 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 31 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 31 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 3 |
