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MCULE-4561206973
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 | 60 USD | 90 | 22 working days | Get Quote |
| 5 mg | 70 USD | 90 | 22 working days | Get Quote |
| 10 mg | 93 USD | 90 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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2
MCULE-7142017142
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4561206973.sdf |
| SMILES | MCULE-4561206973.smiles |
| Standard InChI | MCULE-4561206973.inchi |
| InChIKey | MCULE-4561206973.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619287903 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-854553360 | InterBioScreen | Natural Compounds | 92 | As is | 119 mg |
| P-896120308 | Specs | Screening Compounds | 90 | As is | 20 mg |
| P-896127216 | Specs | Screening Compounds | 90 | Main component | 15 mg |
| P-4653869 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component as a main component | 50 mg |
| P-445352131 | Pharmeks LLC | Natural & unique compounds | 92 | Main component as a main component | 119 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 748.813 |
| logP | 5.9812 |
| H-bond acceptors | 14 |
| H-bond donors | 4 |
| Rotatable bonds | 13 |
| PSA | 172.5 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 199.283 |
| Atoms | 102 |
| Rings | 6 |
| Heavy atoms | 54 |
| Hydrogen atoms | 48 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
