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UNKNOWN STEREO
MCULE-3247461469-0
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 | 7 USD | 97 | 22 working days | Get Quote |
| 5 mg | 7 USD | 97 | 22 working days | Get Quote |
| 10 mg | 7 USD | 97 | 22 working days | Get Quote |
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MCULE-4955662285-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3247461469-0.sdf |
| SMILES | MCULE-3247461469-0.smiles |
| Standard InChI | MCULE-3247461469-0.inchi |
| InChIKey | MCULE-3247461469-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867634637 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875799375 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869190801 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-535622596 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606899954 | AmBeed | In stock | N/A | As is | in stock |
| P-596967229 | Angene | Building Blocks in stock | 97 | As is | 1000 g |
| P-864126513 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893261678 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-500411580 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-611380185 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 405.442 |
| logP | 4.364 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 84.86 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.2007 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 23 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
