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MCULE-3455891789
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 | 26 USD | 98 | 20 working days | Get Quote |
| 5 mg | 42 USD | 95 | 7 working days | Get Quote |
| 10 mg | 68 USD | 95 | 7 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-3455891789.sdf |
| SMILES | MCULE-3455891789.smiles |
| Standard InChI | MCULE-3455891789.inchi |
| InChIKey | MCULE-3455891789.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875706394 | N/A | As is | in stock |
| P-903031920 | 99 | As is | 50 mg |
| P-580732300 | 99 | As is | 291 mg |
| P-452660004 | 98 | As is | in stock |
| P-887189607 | 95 | As is | by synthesis |
| P-579480452 | 95 | As is | in stock |
| P-865620868 | 95 | As is | in stock |
| P-888173767 | 98 | As is | by synthesis |
| P-869271992 | 95 | As an isomer | in stock |
| P-606831227 | N/A | As an isomer | in stock |
| P-868825859 | 98 | As an isomer | 50 mg |
| P-869124836 | 95 | As an isomer | by synthesis |
| P-892290520 | 95 | As an isomer | unavailable |
| P-888638537 | 95 | As an isomer | 241 mg |
| P-611482056 | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.432 |
| logP | 3.9759 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 10 |
| PSA | 71.06 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.741 |
| Atoms | 53 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
