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UNKNOWN STEREO
MCULE-1404097369
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 | 13 USD | 97 | 20 working days | Get Quote |
| 5 mg | 29 USD | 97 | 22 working days | Get Quote |
| 10 mg | 29 USD | 97 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1404097369.sdf |
| SMILES | MCULE-1404097369.smiles |
| Standard InChI | MCULE-1404097369.inchi |
| InChIKey | MCULE-1404097369.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636109 | 97 | As is | in stock |
| P-875801080 | 97 | As is | in stock |
| P-1275190113 | 98 | As is | in stock |
| P-1275144881 | 95 | As is | in stock |
| P-1270335204 | 97 | As is | in stock |
| P-606938764 | N/A | As is | in stock |
| P-596967673 | 97 | As is | 990 mg |
| P-864144565 | 95 | As is | in stock |
| P-893241624 | 95 | As is | in stock |
| P-890851790 | 90 | As is | in stock |
| P-881188897 | 90 | As is | 50 mg |
| P-500390280 | 98 | As is | by synthesis |
| P-869176218 | 95 | As is | in stock |
| P-892292679 | 95 | As is | unavailable |
| P-892236680 | 95 | As is | 168 mg |
| P-892327197 | 95 | As is | 168 mg |
| P-1271677535 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 464.375 |
| logP | -0.5389 |
| H-bond acceptors | 12 |
| H-bond donors | 8 |
| Rotatable bonds | 4 |
| PSA | 210.51 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 110.1572 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 20 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
