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UNKNOWN STEREO
MCULE-3141247645
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 | 16 USD | 95 | 18 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 16 USD | 95 | 18 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-2507101238
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3141247645.sdf |
| SMILES | MCULE-3141247645.smiles |
| Standard InChI | MCULE-3141247645.inchi |
| InChIKey | MCULE-3141247645.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869194094 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-616209111 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-851949922 | AmBeed | In stock | N/A | As a main component | in stock |
| P-889458361 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-893221991 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-855029811 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 560.664 |
| logP | 5.641 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 14 |
| PSA | 175.29 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 147.0076 |
| Atoms | 75 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 36 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
