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MCULE-9698045796
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 | 197 USD | 99 | 14 working days | Get Quote |
| 5 mg | 197 USD | 99 | 14 working days | Get Quote |
| 10 mg | 197 USD | 99 | 14 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-9698045796.sdf |
| SMILES | MCULE-9698045796.smiles |
| Standard InChI | MCULE-9698045796.inchi |
| InChIKey | MCULE-9698045796.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-580451066 | BIOTREND Chemicals | All products | 99 | As an isomer | in stock | May 30, 2017 |
| P-579659700 | LabSeeker, Inc | 4-5 Weeks Collection | 95 | As an isomer | by resynthesis (? - ? days) | August 11, 2017 |
| P-33369917 | TimTec | ActiMol 2 Week | 90 | As an isomer | in stock | April 1, 2014 |
| P-611373456 | Toronto Research | In stock | N/A | As an isomer | in stock | June 25, 2020 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.629 |
| logP | 2.2603 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 93.36 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.7265 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
