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MCULE-9381013499
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 | 80 USD | 98 | 22 working days | Get Quote |
| 5 mg | 139 USD | 98 | 22 working days | Get Quote |
| 10 mg | 261 USD | 98 | 22 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-3823283019
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9381013499.sdf |
| SMILES | MCULE-9381013499.smiles |
| Standard InChI | MCULE-9381013499.inchi |
| InChIKey | MCULE-9381013499.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-861286419 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-888169996 | Molnova | On demand | 98 | As is | by synthesis |
| P-873249827 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
| P-888169172 | Molnova | On demand | 98 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 605.556 |
| logP | 3.1174 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 169.6 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 162.1976 |
| Atoms | 72 |
| Rings | 7 |
| Heavy atoms | 43 |
| Hydrogen atoms | 29 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
