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MCULE-1117653294
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 | 39 USD | 98 | 16 working days | Get Quote |
| 5 mg | 104 USD | 98 | 16 working days | Get Quote |
| 10 mg | 208 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1117653294.sdf |
| SMILES | MCULE-1117653294.smiles |
| Standard InChI | MCULE-1117653294.inchi |
| InChIKey | MCULE-1117653294.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867678097 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875855216 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869220668 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-888169363 | Molnova | On demand | 98 | As is | by synthesis |
| P-888647528 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869142907 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611431131 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 283.390 |
| logP | 4.1689 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 61.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.8568 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
