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MCULE-3916446083
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 87 USD | 90 | 24 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3916446083.sdf |
| SMILES | MCULE-3916446083.smiles |
| Standard InChI | MCULE-3916446083.inchi |
| InChIKey | MCULE-3916446083.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-584544794 | 90 | As is | 3 mg |
| P-54870 | 90 | As is | unavailable |
| P-870653909 | N/A | As is | in stock |
| P-870654158 | N/A | As is | in stock |
| P-524185048 | 95 | As is | 25 g |
| P-856007335 | 95 | As is | 100 mg |
| P-885538910 | 95 | As is | by synthesis |
| P-19531699 | 90 | As is | in stock |
| P-22484847 | 90 | As is | 127 mg |
| P-1251029 | 90 | As is | 257 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 544.593 |
| logP | 3.5193 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 112.01 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 149.1315 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 32 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
