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MCULE-7700985730
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-9080098847
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7700985730.sdf |
| SMILES | MCULE-7700985730.smiles |
| Standard InChI | MCULE-7700985730.inchi |
| InChIKey | MCULE-7700985730.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892486518 | 90 | As is | 74 mg |
| P-893041669 | N/A | Main component | by synthesis |
| P-502605380 | 90 | Main component | in stock |
| P-12505642 | 90 | Main component | 50 mg |
| P-18840445 | 90 | Main component | in stock |
| P-888357564 | 94 | Main component | by resynthesis (? - ? days) |
| P-2274765 | 90 | Main component | 103 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 568.613 |
| logP | 3.1158 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 153.91 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.3139 |
| Atoms | 77 |
| Rings | 4 |
| Heavy atoms | 41 |
| Hydrogen atoms | 36 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
