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UNKNOWN STEREO
MCULE-4090205035
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 | 39 USD | 92 | 15 working days | Get Quote |
| 5 mg | 58 USD | 95 | 20 working days | Get Quote |
| 10 mg | 74 USD | 95 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-1788890083
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4090205035.sdf |
| SMILES | MCULE-4090205035.smiles |
| Standard InChI | MCULE-4090205035.inchi |
| InChIKey | MCULE-4090205035.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616622 | 98 | As is | in stock |
| P-869311691 | 95 | As is | in stock |
| P-851927151 | N/A | As is | in stock |
| P-865915910 | 95 | As is | 1.25 g |
| P-869392161 | 95 | As is | in stock |
| P-901467150 | 95 | As is | by synthesis |
| P-675328357 | 95 | As is | by synthesis |
| P-24236889 | 92 | As is | 199 mg |
| P-855066763 | 90 | As is | in stock |
| P-868515041 | 95 | As is | in stock |
| P-885897473 | 98 | Main component | by synthesis |
| P-851446322 | N/A | Main component | by synthesis |
| P-869120828 | 95 | Main component | by synthesis |
| P-888635572 | 95 | Main component | unavailable |
| P-580036564 | 90 | Main component as a main component | in stock |
| P-870579791 | 95 | Main component as a main component | in stock |
| P-674817212 | 90 | Main component as a main component | 1.5 g |
| P-620218852 | 95 | Main component as a main component | 1.5 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 394.856 |
| logP | -1.1907 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 110.67 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 112.8855 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
