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UNKNOWN STEREO
MCULE-4778256781
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 | 47 USD | 95 | 11 working days | Get Quote |
| 5 mg | 95 USD | 95 | 11 working days | Get Quote |
| 10 mg | 184 USD | 95 | 11 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-4778256781.sdf |
| SMILES | MCULE-4778256781.smiles |
| Standard InChI | MCULE-4778256781.inchi |
| InChIKey | MCULE-4778256781.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867644713 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875811246 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-580247667 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-597010591 | Angene | Building Blocks in stock | 98 | As is | unavailable |
| P-881655170 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864236101 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-675219166 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-869176878 | TargetMol | Natural Products | 95 | As is | 300 mg |
| P-868506916 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 440.700 |
| logP | 8.2848 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 37.3 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 137.6518 |
| Atoms | 80 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 48 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| 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 |
