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MCULE-3865111822
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 | 99 | 14 working days | Get Quote |
| 5 mg | 18 USD | 99 | 14 working days | Get Quote |
| 10 mg | 22 USD | 99 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3865111822.sdf |
| SMILES | MCULE-3865111822.smiles |
| Standard InChI | MCULE-3865111822.inchi |
| InChIKey | MCULE-3865111822.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903032770 | 99 | As is | 1.25 g |
| P-893608535 | 90 | As is | 21.43 g |
| P-580725018 | 99 | As is | 2.221 g |
| P-851306876 | 95 | As is | by synthesis |
| P-868625627 | 96 | As is | in stock |
| P-579481838 | 95 | As is | in stock |
| P-901411051 | 99 | As is | 1.25 g |
| P-896628190 | 95 | As is | by synthesis |
| P-584622279 | 95 | As is | in stock |
| P-608272696 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 544.729 |
| logP | 1.5255 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 134.42 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 116.436 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 18 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
