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MCULE-4074001135-0
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 | 141 USD | 90 | 8 working days | Get Quote |
| 5 mg | 340 USD | 90 | 8 working days | Get Quote |
| 10 mg | 835 USD | 95 | 35 working days | Get Quote |
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1
MCULE-6961801548-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4074001135-0.sdf |
| SMILES | MCULE-4074001135-0.smiles |
| Standard InChI | MCULE-4074001135-0.inchi |
| InChIKey | MCULE-4074001135-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266074890 | 98 | As is | in stock |
| P-1265800527 | 98 | As is | in stock |
| P-1271931093 | 98 | As is | 10 mg |
| P-1274821242 | 95 | As is | by resynthesis (? - ? days) |
| P-901485552 | 95 | As is | by synthesis |
| P-901517139 | 95 | As is | by synthesis |
| P-584626989 | 95 | As is | in stock |
| P-888169157 | 98 | As is | by synthesis |
| P-888171061 | 98 | As is | by synthesis |
| P-596714222 | 90 | As is | 5 mg |
| P-491318640 | 95 | Main component | by synthesis |
| P-901479110 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 405.784 |
| logP | 5.1412 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 23.55 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 111.756 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 27 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
