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MCULE-5245707731-0
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 | 39 USD | 95 | 9 working days | Get Quote |
| 5 mg | 84 USD | 95 | 9 working days | Get Quote |
| 10 mg | 130 USD | 95 | 9 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-7964551631-0
- Component type: Main
-
1
MCULE-5852208511-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5245707731-0.sdf |
| SMILES | MCULE-5245707731-0.smiles |
| Standard InChI | MCULE-5245707731-0.inchi |
| InChIKey | MCULE-5245707731-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-613853963 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-864240181 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-675215495 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855343939 | Toronto Research | In stock | 90 | As is | in stock |
| P-480967538 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-893137167 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-892266563 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892346602 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-867639127 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-875804859 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-869219564 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-851774367 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-895101386 | Angene | Building Blocks in stock | 97 | Main component as a main component | 200 mg |
| P-896026592 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-505515571 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-869154351 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892293483 | TargetMol | In Stock BB | 95 | Main component as a main component | unavailable |
| P-888652039 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 46 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 667.715 |
| logP | 3.221 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 156.63 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 177.5139 |
| Atoms | 91 |
| Rings | 4 |
| Heavy atoms | 47 |
| Hydrogen atoms | 44 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
