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UNKNOWN STEREO
MCULE-1611419713-0
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 | 17 USD | N/A | 9 working days | Get Quote |
| 5 mg | 48 USD | N/A | 9 working days | Get Quote |
| 10 mg | 80 USD | N/A | 9 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-1611419713-0.sdf |
| SMILES | MCULE-1611419713-0.smiles |
| Standard InChI | MCULE-1611419713-0.inchi |
| InChIKey | MCULE-1611419713-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-606941252 | AmBeed | In stock | N/A | As is | in stock |
| P-889568476 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893230072 | Biosynth | In Stock | 95 | As is | in stock |
| P-868079453 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-525185032 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892297955 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892345751 | TargetMol | Screening Compounds - stock amount | 95 | As is | 967 mg |
| P-666968789 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 458.543 |
| logP | 3.9154 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 11 |
| PSA | 97.89 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 124.7718 |
| Atoms | 67 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 34 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 4 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 4 |
| Undefined stereo double bonds | 0 |
