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MCULE-4006806795
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 | 387 USD | 98 | 24 working days | Get Quote |
| 5 mg | 625 USD | 98 | 22 working days | Get Quote |
| 10 mg | 1040 USD | 95 | 14 working days | Get Quote |
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1
MCULE-7978367857
- Component type: Main
-
3
MCULE-1568229930
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4006806795.sdf |
| SMILES | MCULE-4006806795.smiles |
| Standard InChI | MCULE-4006806795.inchi |
| InChIKey | MCULE-4006806795.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-899989881 | 95 | As is | by synthesis |
| P-888169106 | 98 | As is | by synthesis |
| P-855296196 | 90 | Main component | in stock |
| P-1275931643 | 98 | Main component as a main component | by synthesis |
| P-1275010515 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 929.964 |
| logP | -1.6882 |
| H-bond acceptors | 25 |
| H-bond donors | 13 |
| Rotatable bonds | 26 |
| PSA | 401.4 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 227.3473 |
| Atoms | 128 |
| Rings | 3 |
| Heavy atoms | 65 |
| Hydrogen atoms | 63 |
| Heteroatoms | 25 |
| N/O atoms | 25 |
| 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 |
