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UNKNOWN STEREO
MCULE-4564695095
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 16 USD | 98 | 22 working days | Get Quote |
| 10 mg | 23 USD | 98 | 22 working days | Get Quote |
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MCULE-4044217988
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4564695095.sdf |
| SMILES | MCULE-4564695095.smiles |
| Standard InChI | MCULE-4564695095.inchi |
| InChIKey | MCULE-4564695095.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867546862 | 98 | As is | in stock |
| P-875703681 | 98 | As is | in stock |
| P-590379277 | 98 | As is | by resynthesis (? - ? days) |
| P-1270392266 | 98 | As is | in stock |
| P-606926389 | N/A | As is | in stock |
| P-596939939 | 98 | As is | 5 g |
| P-864140249 | 95 | As is | in stock |
| P-901414840 | 95 | As is | in stock |
| P-855345942 | 90 | As is | in stock |
| P-893988664 | 98 | As is | in stock |
| P-867656865 | N/A | As a main component | in stock |
| P-875825605 | N/A | As a main component | in stock |
| P-851390256 | N/A | As a main component | by synthesis |
| P-865925482 | 98 | As a main component | 250 mg |
| P-864218474 | 97 | As a main component | by synthesis |
| P-869125614 | 95 | As a main component | unavailable |
| P-888639163 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 440.599 |
| logP | 4.751 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 113.11 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 123.3382 |
| Atoms | 66 |
| Rings | 2 |
| Heavy atoms | 30 |
| Hydrogen atoms | 36 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
