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MCULE-5245026749
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5245026749.sdf |
| SMILES | MCULE-5245026749.smiles |
| Standard InChI | MCULE-5245026749.inchi |
| InChIKey | MCULE-5245026749.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869989799 | 90 | As is | unavailable |
| P-10015557 | 90 | As is | 82 mg |
| P-578430575 | 90 | As is | in stock |
| P-504267534 | 90 | As is | by synthesis |
| P-502654128 | 90 | As is | in stock |
| P-621086412 | 90 | As is | by synthesis |
| P-19020575 | 90 | As is | in stock |
| P-12529962 | 90 | As is | 43 mg |
| P-33808738 | 90 | As is | in stock |
| P-903955226 | 94 | As is | by resynthesis (? - ? days) |
| P-2614203 | 90 | As is | 60 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 408.850 |
| logP | 5.1035 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 34.06 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 117.542 |
| Atoms | 47 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
