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MCULE-4285200997
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 | 27 USD | 98 | 14 working days | Get Quote |
| 5 mg | 27 USD | 98 | 14 working days | Get Quote |
| 10 mg | 27 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-4692937563
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4285200997.sdf |
| SMILES | MCULE-4285200997.smiles |
| Standard InChI | MCULE-4285200997.inchi |
| InChIKey | MCULE-4285200997.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903121312 | 98 | As is | 125 mg |
| P-893607893 | 90 | As is | 125 mg |
| P-905500181 | N/A | As is | in stock |
| P-619673653 | 98 | As is | in stock |
| P-893438402 | 90 | As a main component | by synthesis |
| P-888172153 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 774.905 |
| logP | 3.3892 |
| H-bond acceptors | 16 |
| H-bond donors | 8 |
| Rotatable bonds | 24 |
| PSA | 248.94 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 211.3017 |
| Atoms | 110 |
| Rings | 4 |
| Heavy atoms | 56 |
| Hydrogen atoms | 54 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
