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MCULE-5245768001-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 USD | 90 | 19 working days | Get Quote |
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1
MCULE-7373631078-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5245768001-0.sdf |
| SMILES | MCULE-5245768001-0.smiles |
| Standard InChI | MCULE-5245768001-0.inchi |
| InChIKey | MCULE-5245768001-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892446188 | Asinex | General screening catalog | 90 | As is | 153 mg |
| P-4654896 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-619827910 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-34794998 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-617744486 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 105 mg |
| P-596511611 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-896156328 | Specs | Screening Compounds | 90 | Main component | 17 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 341.399 |
| logP | 2.8369 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 105.09 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 91.4663 |
| Atoms | 51 |
| Rings | 1 |
| Heavy atoms | 24 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
