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MCULE-9981800107
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 | 89 USD | 90 | 22 working days | Get Quote |
| 5 mg | 97 USD | 96 | 8 working days | Get Quote |
| 10 mg | 117 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9981800107.sdf |
| SMILES | MCULE-9981800107.smiles |
| Standard InChI | MCULE-9981800107.inchi |
| InChIKey | MCULE-9981800107.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-610963423 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 788 mg |
| P-861285553 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-608495779 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-862112713 | FluoroChem | General BB | N/A | As is | in stock |
| P-608220174 | Glentham Life Sciences | Compounds maintained in stock | 96 | As is | in stock |
| P-596564022 | Key Organics | Building Blocks | 97 | As is | 10 mg |
| P-14064261 | Life Chemicals | Building Blocks | 95 | As is | 783 mg |
| P-601069197 | Life Chemicals | Screening Compounds | 90 | As is | 783 mg |
| P-852509552 | Matrix Scientific | All | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 257.243 |
| logP | -1.5917 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 130.83 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.6928 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
