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UNKNOWN STEREO
MCULE-7108501833
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 | 129 USD | 95 | 16 working days | Get Quote |
| 5 mg | 244 USD | 95 | 16 working days | Get Quote |
| 10 mg | 377 USD | 95 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-7108501833.sdf |
| SMILES | MCULE-7108501833.smiles |
| Standard InChI | MCULE-7108501833.inchi |
| InChIKey | MCULE-7108501833.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867677983 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875855407 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869251860 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505401659 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-889502226 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-888659329 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869164090 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-886962043 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 489.380 |
| logP | 3.8576 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 64.68 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 131.7529 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
