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UNKNOWN STEREO
MCULE-3978866251
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 | 53 USD | 98 | 20 working days | Get Quote |
| 5 mg | 128 USD | 98 | 20 working days | Get Quote |
| 10 mg | 218 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-3978866251.sdf |
| SMILES | MCULE-3978866251.smiles |
| Standard InChI | MCULE-3978866251.inchi |
| InChIKey | MCULE-3978866251.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867539943 | 98 | As is | in stock |
| P-875696345 | N/A | As is | in stock |
| P-595216700 | 95 | As is | in stock |
| P-888731586 | N/A | As is | in stock |
| P-596981609 | 98 | As is | 75 mg |
| P-864154344 | 95 | As is | in stock |
| P-893253002 | 95 | As is | by synthesis |
| P-675219410 | 95 | As is | in stock |
| P-892246595 | 95 | As is | by synthesis |
| P-869176695 | 95 | As is | in stock |
| P-892293857 | 95 | As is | unavailable |
| P-892333303 | 95 | As is | 102 mg |
| P-854980362 | 90 | As is | in stock |
| P-481011810 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 442.371 |
| logP | 2.5276 |
| H-bond acceptors | 10 |
| H-bond donors | 7 |
| Rotatable bonds | 4 |
| PSA | 177.14 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 110.0415 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 18 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
