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MCULE-6228555987
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 | 66 USD | 95 | 10 working days | Get Quote |
| 5 mg | 82 USD | 95 | 10 working days | Get Quote |
| 10 mg | 111 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-7589543839
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6228555987.sdf |
| SMILES | MCULE-6228555987.smiles |
| Standard InChI | MCULE-6228555987.inchi |
| InChIKey | MCULE-6228555987.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596565841 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-31249755 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-674742061 | Maybridge | Screening Collection | 90 | As is | 1.424 kg |
| P-885540857 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-870662372 | Glentham Life Sciences | Compounds maintained in stock | 97 | Main component | in stock |
| P-454420894 | Key Organics | Building Blocks | 95 | Main component | 10.027 g |
| P-588718114 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 10.027 g |
| P-31248753 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-885540855 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 487.604 |
| logP | 1.6211 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 129.92 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 124.4366 |
| Atoms | 76 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 42 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 11 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 11 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
