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UNKNOWN STEREO
MCULE-1442689809-0
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 | 35 USD | 95 | 12 working days | Get Quote |
| 5 mg | 89 USD | 95 | 7 working days | Get Quote |
| 10 mg | 130 USD | 98 | 16 working days | Get Quote |
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1
MCULE-3209036353-0
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1442689809-0.sdf |
| SMILES | MCULE-1442689809-0.smiles |
| Standard InChI | MCULE-1442689809-0.inchi |
| InChIKey | MCULE-1442689809-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904255670 | 95 | As is | unavailable |
| P-869174899 | 95 | As is | 1.919 g |
| P-888664741 | 95 | As is | 100 mg |
| P-888731351 | N/A | Main component | in stock |
| P-864161100 | 95 | Main component | in stock |
| P-611619503 | 90 | Main component | in stock |
| P-1271711827 | 98 | Main component | in stock |
| P-904252817 | 95 | Main component as a main component | unavailable |
| P-904224063 | 95 | Main component as a main component | 13 mg |
| P-904239954 | 95 | Main component as a main component | 12 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 638.696 |
| logP | -0.1083 |
| H-bond acceptors | 17 |
| H-bond donors | 10 |
| Rotatable bonds | 10 |
| PSA | 320.8 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 177.8969 |
| Atoms | 82 |
| Rings | 2 |
| Heavy atoms | 44 |
| Hydrogen atoms | 38 |
| Heteroatoms | 18 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
