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MCULE-4507739342
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4507739342.sdf |
| SMILES | MCULE-4507739342.smiles |
| Standard InChI | MCULE-4507739342.inchi |
| InChIKey | MCULE-4507739342.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-596452186 | 90 | As is | 105 mg |
| P-5734212 | 90 | As is | 101 mg |
| P-425437020 | 90 | As is | in stock |
| P-13458306 | 92 | As is | 300 mg |
| P-674638486 | 92 | As is | 300 mg |
| P-424814718 | 90 | As is | in stock |
| P-33587273 | 94 | As is | by resynthesis (? - ? days) |
| P-2440716 | 90 | As is | 199 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 423.555 |
| logP | 4.63948 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 107.17 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 124.775 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
