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MCULE-5368831868-0
Structure
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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 | 51 USD | 95 | 19 working days | Get Quote |
| 5 mg | 77 USD | 95 | 19 working days | Get Quote |
| 10 mg | 90 USD | 95 | 19 working days | Get Quote |
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1
MCULE-2177309596-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5368831868-0.sdf |
| SMILES | MCULE-5368831868-0.smiles |
| Standard InChI | MCULE-5368831868-0.inchi |
| InChIKey | MCULE-5368831868-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886722095 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-869320403 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505402717 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-579516053 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | in stock |
| P-524173893 | Key Organics | Building Blocks | 95 | Main component | unavailable |
| P-588725923 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | Main component | by synthesis |
| P-862149352 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
| P-862264421 | KISHIDA CHEMICAL | K-BB | 95 | Main component as a main component | 7.013 g |
| P-855968724 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 254.165 |
| logP | 2.3955 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.0838 |
| Atoms | 33 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
