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UNKNOWN STEREO
MCULE-3896788048
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 | 395 USD | 98 | 16 working days | Get Quote |
| 5 mg | 1236 USD | 95 | 37 working days | Get Quote |
| 10 mg | 2473 USD | 95 | 37 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-3896788048.sdf |
| SMILES | MCULE-3896788048.smiles |
| Standard InChI | MCULE-3896788048.inchi |
| InChIKey | MCULE-3896788048.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867619763 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-851473782 | AmBeed | On request | N/A | As is | by synthesis |
| P-889520805 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-888629539 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869111685 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-868538784 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1202.611 |
| logP | 4.1495 |
| H-bond acceptors | 23 |
| H-bond donors | 5 |
| Rotatable bonds | 15 |
| PSA | 278.8 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 375.4656 |
| Atoms | 196 |
| Rings | 1 |
| Heavy atoms | 85 |
| Hydrogen atoms | 111 |
| Heteroatoms | 23 |
| N/O atoms | 23 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 13 |
| R/S chiral centers | 13 |
| 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 |
