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UNKNOWN STEREO
MCULE-5850633175-0
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 54 USD | 90 | 23 working days | Get Quote |
| 10 mg | 68 USD | 90 | 23 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5850633175-0.sdf |
| SMILES | MCULE-5850633175-0.smiles |
| Standard InChI | MCULE-5850633175-0.inchi |
| InChIKey | MCULE-5850633175-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851842609 | AmBeed | On request | N/A | As is | by synthesis |
| P-516919777 | Eximed | Building Block Catalog | 95 | As is | 4 g |
| P-864497545 | Eximed | In-stock screening compounds | 90 | As is | 2.73 g |
| P-428591023 | Eximed | In-stock screening compounds | 90 | As is | 4 g |
| P-502972412 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492246330 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488544694 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-14008084 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-34032109 | Otava | In-House Stock Library | 90 | As is | 4 g |
| P-492280823 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 4 g |
| P-454364239 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13962911 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 247.289 |
| logP | 2.0796 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 57.61 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.1063 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
