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UNKNOWN STEREO
MCULE-3805063345-0
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.
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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 | 22 USD | 85 | 20 working days | Get Quote |
| 5 mg | 22 USD | 85 | 20 working days | Get Quote |
| 10 mg | 22 USD | 85 | 20 working days | Get Quote |
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MCULE-1834134533-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3805063345-0.sdf |
| SMILES | MCULE-3805063345-0.smiles |
| Standard InChI | MCULE-3805063345-0.inchi |
| InChIKey | MCULE-3805063345-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-535626733 | AK Scientific | Building Blocks | 90 | As a main component | in stock |
| P-505353893 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-580243481 | Aldlab Chemicals | Building Block Custom Synth | 95 | As a main component | by synthesis |
| P-596962301 | Angene | Building Blocks in stock | 85 | As a main component | 200 g |
| P-881654683 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-864107714 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-524441544 | Key Organics | Biochemicals | 97 | As a main component | 274 mg |
| P-500381274 | Pi Chemicals | Virtual Compounds | N/A | As a main component | by synthesis |
| P-611340670 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-615409749 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 522.562 |
| logP | 0.5563 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 259.09 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 126.6281 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 16 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
