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UNKNOWN STEREO
MCULE-1901373789
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 | 38 USD | 99 | 22 working days | Get Quote |
| 5 mg | 54 USD | 95 | 7 working days | Get Quote |
| 10 mg | 85 USD | 95 | 7 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-1901373789.sdf |
| SMILES | MCULE-1901373789.smiles |
| Standard InChI | MCULE-1901373789.inchi |
| InChIKey | MCULE-1901373789.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634475 | 99 | As is | in stock |
| P-590360619 | 99 | As is | in stock |
| P-606906215 | N/A | As is | in stock |
| P-596967315 | 99 | As is | 300 mg |
| P-864150031 | 95 | As is | in stock |
| P-901462805 | 95 | As is | by synthesis |
| P-860797619 | 98 | As is | in stock |
| P-878649834 | 90 | As is | 1000 mg |
| P-675214940 | 95 | As is | in stock |
| P-500411386 | 97 | As is | by synthesis |
| P-525179811 | 95 | As is | by synthesis |
| P-892296807 | 95 | As is | unavailable |
| P-888657294 | 95 | As is | 33 mg |
| P-611397852 | 90 | As is | in stock |
| P-611429742 | 90 | As is | in stock |
| P-666984135 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 641.606 |
| logP | 7.1999 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 110.96 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 182.0669 |
| Atoms | 77 |
| Rings | 6 |
| Heavy atoms | 43 |
| Hydrogen atoms | 34 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
