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MCULE-2495514021
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 | 1385 USD | 90 | 29 working days | Get Quote |
| 5 mg | 1385 USD | 90 | 29 working days | Get Quote |
| 10 mg | 1385 USD | 90 | 29 working days | Get Quote |
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MCULE-9361977525
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2495514021.sdf |
| SMILES | MCULE-2495514021.smiles |
| Standard InChI | MCULE-2495514021.inchi |
| InChIKey | MCULE-2495514021.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867515654 | 95 | As is | by synthesis |
| P-1268857728 | 95 | As is | by synthesis |
| P-610909710 | 90 | As is | by synthesis |
| P-1266947038 | 95 | As a main component | by synthesis |
| P-890076833 | 95 | As a main component | by synthesis |
| P-1275276395 | 95 | As a main component | 500 mg |
| P-893745101 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 530.085 |
| logP | 6.178 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 102.68 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 143.5485 |
| Atoms | 68 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 32 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 1 |
| 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 |
