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MCULE-1068877380
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 | 44 USD | 98 | 15 working days | Get Quote |
| 5 mg | 83 USD | 98 | 16 working days | Get Quote |
| 10 mg | 133 USD | 98 | 16 working days | Get Quote |
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1
MCULE-3436608148
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1068877380.sdf |
| SMILES | MCULE-1068877380.smiles |
| Standard InChI | MCULE-1068877380.inchi |
| InChIKey | MCULE-1068877380.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892414519 | 98 | As is | 1.315 g |
| P-1263259221 | 95 | As is | by synthesis |
| P-868658672 | 95 | As is | in stock |
| P-854621251 | 98 | As is | in stock |
| P-854714218 | 95 | As is | in stock |
| P-903156814 | 97 | Main component | 500 mg |
| P-1264054063 | 95 | Main component | in stock |
| P-590631246 | 95 | Main component | 473 mg |
| P-1275107796 | N/A | Main component | by resynthesis (? - ? days) |
| P-887228918 | 95 | Main component | by synthesis |
| P-579481703 | 95 | Main component | in stock |
| P-854712636 | 95 | Main component | in stock |
| P-1263153420 | 95 | Main component | by synthesis |
| P-878645107 | 98 | Main component | in stock |
| P-906801423 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 793.050 |
| logP | 10.3302 |
| H-bond acceptors | 11 |
| H-bond donors | 2 |
| Rotatable bonds | 18 |
| PSA | 167.65 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 227.49 |
| Atoms | 111 |
| Rings | 5 |
| Heavy atoms | 55 |
| Hydrogen atoms | 56 |
| Heteroatoms | 13 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
