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MCULE-1006401802
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 | 22 USD | 99 | 8 working days | Get Quote |
| 5 mg | 48 USD | 98 | 16 working days | Get Quote |
| 10 mg | 117 USD | 98 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1006401802.sdf |
| SMILES | MCULE-1006401802.smiles |
| Standard InChI | MCULE-1006401802.inchi |
| InChIKey | MCULE-1006401802.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489163700 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-860056622 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-580719733 | BLD pharm | In-stock building blocks | 99 | As is | 1.45 g |
| P-881633918 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-861520426 | Combi-Blocks | Building Block on demand | N/A | As is | by synthesis |
| P-579478944 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-895184151 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-896627821 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-474026648 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608271645 | Molnova | Stock | 98 | As is | in stock |
| P-906797812 | Titan Scientific | Predominantly Building Block on demand | 99 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 443.306 |
| logP | 3.8506 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 97.62 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 94.0744 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 11 |
| Heteroatoms | 14 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
