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UNKNOWN STEREO
MCULE-2959607047-1
Structure
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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 | 5 USD | 98 | 16 working days | Get Quote |
| 5 mg | 5 USD | 98 | 16 working days | Get Quote |
| 10 mg | 5 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2959607047-1.sdf |
| SMILES | MCULE-2959607047-1.smiles |
| Standard InChI | MCULE-2959607047-1.inchi |
| InChIKey | MCULE-2959607047-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867536903 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875692297 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869186571 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-505388846 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-851150724 | Angene | Building Blocks in stock | 98 | As is | 49.2005 kg |
| P-864112195 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580426732 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-500405809 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-502328498 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 283.241 |
| logP | -2.1055 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 2 |
| PSA | 159.51 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.4995 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
