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MCULE-6998171961-0
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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 11 working days | Get Quote |
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2
MCULE-8394684848-0
- Component type: Main
-
1
MCULE-8865188741-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6998171961-0.sdf |
| SMILES | MCULE-6998171961-0.smiles |
| Standard InChI | MCULE-6998171961-0.inchi |
| InChIKey | MCULE-6998171961-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851239383 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-852519330 | Matrix Scientific | All | N/A | As is | in stock |
| P-893432831 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component | by synthesis |
| P-489239820 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-494343212 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-851281653 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868577777 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-852444111 | Matrix Scientific | All | N/A | Main component | in stock |
| P-851294190 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-868582544 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 404.499 |
| logP | 3.8048 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 146.87 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 113.5062 |
| Atoms | 61 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 32 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
