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UNKNOWN STEREO
MCULE-1969792742
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 | 116 USD | 95 | 35 working days | Get Quote |
| 5 mg | 412 USD | 95 | 35 working days | Get Quote |
| 10 mg | 618 USD | 95 | 35 working days | Get Quote |
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MCULE-2498333913
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1969792742.sdf |
| SMILES | MCULE-1969792742.smiles |
| Standard InChI | MCULE-1969792742.inchi |
| InChIKey | MCULE-1969792742.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-613854078 | 95 | As is | by resynthesis (? - ? days) |
| P-596985353 | N/A | As is | 50 mg |
| P-901460250 | 95 | As is | by synthesis |
| P-904258165 | 95 | As is | in stock |
| P-892298511 | 95 | As is | unavailable |
| P-892272003 | 95 | As is | 1 mg |
| P-892349309 | 95 | As is | 6 mg |
| P-855050500 | 90 | As is | in stock |
| P-855245814 | 90 | As is | in stock |
| P-613851595 | 98 | As a main component | by resynthesis (? - ? days) |
| P-893246754 | 95 | As a main component | by synthesis |
| P-580450857 | 99 | As a main component | in stock |
| P-904256131 | 95 | As a main component | in stock |
| P-869110841 | 95 | As a main component | unavailable |
| P-888628975 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 709.003 |
| logP | 7.7996 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 22 |
| PSA | 153.75 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 203.3 |
| Atoms | 122 |
| Rings | 2 |
| Heavy atoms | 50 |
| Hydrogen atoms | 72 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 14 |
| R/S chiral centers | 14 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
