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UNKNOWN STEREO
MCULE-8730714627-0
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 | 81 USD | 95 | 7 working days | Get Quote |
| 5 mg | 208 USD | 95 | 7 working days | Get Quote |
| 10 mg | 316 USD | 95 | 7 working days | Get Quote |
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1
MCULE-1530338411-0
- Component type: Main
-
1
MCULE-5726619687-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8730714627-0.sdf |
| SMILES | MCULE-8730714627-0.smiles |
| Standard InChI | MCULE-8730714627-0.inchi |
| InChIKey | MCULE-8730714627-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867680110 | 95 | As is | in stock |
| P-875859089 | N/A | As is | in stock |
| P-874645799 | N/A | As is | by resynthesis (? - ? days) |
| P-1273226857 | N/A | As is | in stock |
| P-900250471 | 98 | As is | 100 mg |
| P-1275490083 | 95 | As is | in stock |
| P-868079043 | 95 | As is | in stock |
| P-892287984 | 95 | As is | unavailable |
| P-869113097 | 95 | As is | 48 mg |
| P-888630272 | 95 | As is | 48 mg |
| P-1271630958 | 99 | As is | in stock |
| P-1266267607 | 98 | Main component | in stock |
| P-1265955533 | 98 | Main component | in stock |
| P-905004554 | N/A | Main component | by synthesis |
| P-892249047 | 95 | Main component | unavailable |
| P-892335118 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 611.506 |
| logP | 2.8468 |
| H-bond acceptors | 12 |
| H-bond donors | 7 |
| Rotatable bonds | 5 |
| PSA | 212.17 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 147.7311 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 29 |
| Heteroatoms | 16 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
