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UNKNOWN STEREO
MCULE-4546479243
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 34 USD | 96 | 12 working days | Get Quote |
| 10 mg | 61 USD | 95 | 7 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4546479243.sdf |
| SMILES | MCULE-4546479243.smiles |
| Standard InChI | MCULE-4546479243.inchi |
| InChIKey | MCULE-4546479243.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867626071 | N/A | As is | in stock |
| P-875789634 | 96 | As is | in stock |
| P-595218714 | 95 | As is | by resynthesis (? - ? days) |
| P-1270338521 | 99 | As is | in stock |
| P-891645026 | N/A | As is | in stock |
| P-864242902 | 95 | As is | by synthesis |
| P-889453043 | 95 | As is | by synthesis |
| P-893240995 | 95 | As is | in stock |
| P-675219712 | 95 | As is | in stock |
| P-869176804 | 95 | As is | in stock |
| P-525176235 | 95 | As is | 314 mg |
| P-892294089 | 95 | As is | 303 mg |
| P-892334266 | 95 | As is | 303 mg |
| P-611401313 | 90 | As is | in stock |
| P-855062022 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 622.871 |
| logP | 4.3248 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 7 |
| PSA | 139.84 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 172.2608 |
| Atoms | 106 |
| Rings | 5 |
| Heavy atoms | 44 |
| Hydrogen atoms | 62 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 15 |
| R/S chiral centers | 15 |
| 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 |
