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UNKNOWN STEREO
MCULE-5817177101
Compound
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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 | 27 USD | 98 | 16 working days | Get Quote |
| 5 mg | 64 USD | 98 | 16 working days | Get Quote |
| 10 mg | 100 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5817177101.sdf |
| SMILES | MCULE-5817177101.smiles |
| Standard InChI | MCULE-5817177101.inchi |
| InChIKey | MCULE-5817177101.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867546995 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875704467 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869239724 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606863531 | AmBeed | In stock | N/A | As is | in stock |
| P-596940007 | Angene | Building Blocks in stock | 98 | As is | 418 mg |
| P-881654494 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864149980 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860799797 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-675215803 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-888649957 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869148967 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 515.508 |
| logP | 2.06 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 150.69 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 125.647 |
| Atoms | 59 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 24 |
| Heteroatoms | 14 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
