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UNKNOWN STEREO
MCULE-4548739840
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 | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 working days | Get Quote |
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MCULE-5702397011
- Component type: Main
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MCULE-7575108812
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4548739840.sdf |
| SMILES | MCULE-4548739840.smiles |
| Standard InChI | MCULE-4548739840.inchi |
| InChIKey | MCULE-4548739840.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-596973965 | 98 | As is | 1.5 kg |
| P-864146166 | 98 | As is | in stock |
| P-893218149 | 95 | As is | in stock |
| P-893218714 | 95 | As is | in stock |
| P-505495494 | 95 | As is | in stock |
| P-500377269 | 96 | As is | by synthesis |
| P-892213908 | 95 | As is | by synthesis |
| P-869175458 | 95 | As is | in stock |
| P-892286768 | 95 | As is | 3.816 g |
| P-892310279 | 95 | As is | 3.816 g |
| P-873222228 | 90 | As is | in stock |
| P-611423570 | 90 | As is | in stock |
| P-864141917 | 95 | As a main component | in stock |
| P-893218165 | 95 | As a main component | in stock |
| P-893218715 | 95 | As a main component | in stock |
| P-505530366 | 95 | As a main component | in stock |
| P-500377170 | 98 | As a main component | by synthesis |
| P-611493751 | 90 | As a main component | in stock |
| P-854632477 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 349.407 |
| logP | 1.3472 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 138.03 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 92.5639 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
