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UNKNOWN STEREO
MCULE-2498333913-0
Structure
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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 | 124 USD | 95 | 9 working days | Get Quote |
| 5 mg | 368 USD | 95 | 25 working days | Get Quote |
| 10 mg | 552 USD | 95 | 25 working days | Get Quote |
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1
MCULE-1969792742-0
- Component type: Main
-
1
MCULE-5396813937-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2498333913-0.sdf |
| SMILES | MCULE-2498333913-0.smiles |
| Standard InChI | MCULE-2498333913-0.inchi |
| InChIKey | MCULE-2498333913-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-613851595 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893246754 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-580450857 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-869110841 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888628975 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 747.065 |
| logP | 6.3374 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 22 |
| PSA | 159.41 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 199.4154 |
| Atoms | 121 |
| Rings | 2 |
| Heavy atoms | 51 |
| Hydrogen atoms | 70 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 14 |
| R/S chiral centers | 14 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
