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UNKNOWN STEREO
MCULE-2725728039
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 | 658 USD | 98 | 63 working days | Get Quote |
| 5 mg | 2074 USD | 99 | 16 working days | Get Quote |
| 10 mg | 4147 USD | 99 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2725728039.sdf |
| SMILES | MCULE-2725728039.smiles |
| Standard InChI | MCULE-2725728039.inchi |
| InChIKey | MCULE-2725728039.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867680963 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-851676205 | AmBeed | On request | N/A | As is | by synthesis |
| P-864281270 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-872868234 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-868079041 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-868526439 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 613.206 |
| logP | 7.373 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 93.32 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 174.5572 |
| Atoms | 83 |
| Rings | 6 |
| Heavy atoms | 42 |
| Hydrogen atoms | 41 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
