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MCULE-9902816877
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 | 65 USD | 95 | 10 working days | Get Quote |
| 5 mg | 81 USD | 95 | 10 working days | Get Quote |
| 10 mg | 111 USD | 95 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9902816877.sdf |
| SMILES | MCULE-9902816877.smiles |
| Standard InChI | MCULE-9902816877.inchi |
| InChIKey | MCULE-9902816877.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852072550 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-875717422 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615722292 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-866098107 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
| P-851811872 | AmBeed | On request | N/A | As is | by synthesis |
| P-489218082 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-591098584 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-580272909 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862045128 | FluoroChem | General BB | N/A | As is | in stock |
| P-454381409 | Key Organics | Building Blocks | 95 | As is | 52.718 g |
| P-18739112 | Key Organics | Screening Compounds and Fragments | 95 | As is | 52.718 g |
| P-852414064 | Matrix Scientific | All | N/A | As is | in stock |
| P-502403758 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611610632 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.675 |
| logP | 3.39048 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 36.68 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.256 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
