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UNKNOWN STEREO
MCULE-5881779886-0
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 | 377 USD | N/A | 14 working days | Get Quote |
| 5 mg | 377 USD | N/A | 14 working days | Get Quote |
| 10 mg | 377 USD | N/A | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5881779886-0.sdf |
| SMILES | MCULE-5881779886-0.smiles |
| Standard InChI | MCULE-5881779886-0.inchi |
| InChIKey | MCULE-5881779886-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867628384 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875791859 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869224189 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-888934630 | AmBeed | In stock | N/A | As is | in stock |
| P-895099760 | Angene | Building Blocks in stock | N/A | As is | 4.48 g |
| P-896054887 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-893256950 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-869158621 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888654384 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 331.672 |
| logP | 3.9167 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 75.2057 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 9 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
