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MCULE-4525279553
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 | 22 working days | Get Quote |
| 5 mg | 69 USD | 90 | 22 working days | Get Quote |
| 10 mg | 87 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4525279553.sdf |
| SMILES | MCULE-4525279553.smiles |
| Standard InChI | MCULE-4525279553.inchi |
| InChIKey | MCULE-4525279553.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270572974 | 90 | As is | by synthesis |
| P-1269014152 | 90 | As is | by synthesis |
| P-531917442 | 90 | As is | 12 mg |
| P-34913800 | 90 | As is | in stock |
| P-34743396 | 90 | As is | by synthesis |
| P-899988948 | 95 | As is | by synthesis |
| P-34149180 | 90 | As is | in stock |
| P-869129935 | 95 | As is | unavailable |
| P-888641948 | 95 | As is | unavailable |
| P-33474799 | 90 | As is | in stock |
| P-596704737 | 90 | As is | 1 mg |
| P-903633246 | 94 | As is | by resynthesis (? - ? days) |
| P-424683570 | 90 | As is | 722 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 361.500 |
| logP | 4.6334 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 83.64 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.3112 |
| Atoms | 52 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 27 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
