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UNKNOWN STEREO
MCULE-5835974741-0
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 | 39 USD | 95 | 37 working days | Get Quote |
| 5 mg | 39 USD | 95 | 37 working days | Get Quote |
| 10 mg | 39 USD | 95 | 37 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5835974741-0.sdf |
| SMILES | MCULE-5835974741-0.smiles |
| Standard InChI | MCULE-5835974741-0.inchi |
| InChIKey | MCULE-5835974741-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886537151 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-890142296 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851810789 | AmBeed | On request | N/A | As is | by synthesis |
| P-881654024 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-881038539 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-505528196 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-888654024 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869158144 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855298726 | Toronto Research | In stock | 90 | As is | in stock |
| P-615413968 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 491.182 |
| logP | -0.0186 |
| H-bond acceptors | 17 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 288.33 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 94.2429 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 16 |
| Heteroatoms | 20 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
