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UNKNOWN STEREO
MCULE-6467898368
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 | 104 USD | N/A | 9 working days | Get Quote |
| 5 mg | 104 USD | N/A | 9 working days | Get Quote |
| 10 mg | 163 USD | N/A | 9 working days | Get Quote |
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MCULE-2245829692
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6467898368.sdf |
| SMILES | MCULE-6467898368.smiles |
| Standard InChI | MCULE-6467898368.inchi |
| InChIKey | MCULE-6467898368.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886525561 | N/A | As is | in stock |
| P-905017502 | N/A | As is | by synthesis |
| P-900243209 | 10 | As is | 25 mg |
| P-901453552 | 95 | As is | by synthesis |
| P-869118632 | 95 | As is | by synthesis |
| P-904245592 | 95 | As is | unavailable |
| P-888633678 | 95 | As is | 1.336 g |
| P-613852567 | 98 | As a main component | in stock |
| P-901181140 | N/A | As a main component | in stock |
| P-904963225 | 95 | As a main component | in stock |
| P-893218944 | 95 | As a main component | in stock |
| P-893225312 | 95 | As a main component | in stock |
| P-580452687 | 99 | As a main component | in stock |
| P-611492731 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 459.549 |
| logP | 4.8807 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 99.88 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 127.8704 |
| Atoms | 67 |
| Rings | 2 |
| Heavy atoms | 33 |
| Hydrogen atoms | 34 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
