MCULE-4406499778
- 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 | 923 USD | 95 | 34 working days | Get Quote |
| 5 mg | 923 USD | 95 | 34 working days | Get Quote |
| 10 mg | 923 USD | 95 | 34 working days | Get Quote |
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1
MCULE-4314519195
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4406499778.sdf |
| SMILES | MCULE-4406499778.smiles |
| Standard InChI | MCULE-4406499778.inchi |
| InChIKey | MCULE-4406499778.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590955450 | 98 | As is | by synthesis |
| P-861500162 | 95 | As is | by synthesis |
| P-895668333 | 95 | As is | by synthesis |
| P-590862081 | 98 | Main component | by synthesis |
| P-861500161 | 95 | Main component | by synthesis |
| P-895668403 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 320.608 |
| logP | 3.1851 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.4825 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

