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UNKNOWN STEREO
MCULE-8949998318
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 | 111 USD | N/A | 12 working days | Get Quote |
| 5 mg | 157 USD | 90 | 35 working days | Get Quote |
| 10 mg | 176 USD | 90 | 35 working days | Get Quote |
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1
MCULE-6334087691
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8949998318.sdf |
| SMILES | MCULE-8949998318.smiles |
| Standard InChI | MCULE-8949998318.inchi |
| InChIKey | MCULE-8949998318.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-874638830 | 97 | As is | by resynthesis (? - ? days) |
| P-895098945 | 95 | As is | 100 mg |
| P-889833413 | 95 | As is | by synthesis |
| P-1272611457 | 95 | As is | in stock |
| P-505494545 | 95 | As is | in stock |
| P-611521923 | 90 | As is | in stock |
| P-611409478 | 90 | As is | in stock |
| P-1271515941 | 95 | As is | by synthesis |
| P-1271632052 | 95 | As is | in stock |
| P-901196674 | N/A | Main component | by synthesis |
| P-1274670556 | 90 | Main component as a main component | by synthesis |
| P-1265817679 | N/A | Main component as a main component | in stock |
| P-1265976648 | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 432.494 |
| logP | 0.6702 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 182.58 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 109.3831 |
| Atoms | 57 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
