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UNKNOWN STEREO
MCULE-5431826007
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 | 16 USD | 95 | 18 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 16 USD | 95 | 18 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5431826007.sdf |
| SMILES | MCULE-5431826007.smiles |
| Standard InChI | MCULE-5431826007.inchi |
| InChIKey | MCULE-5431826007.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869181835 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505395506 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851707025 | AmBeed | On request | N/A | As is | by synthesis |
| P-488543463 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454363352 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-2376327 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-464682065 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.233 |
| logP | 2.2099 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 12.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.705 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 11 |
| Hydrogen atoms | 16 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
