MCULE-7122189409
- 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 | 38 USD | 95 | 17 working days | Get Quote |
| 5 mg | 38 USD | 95 | 17 working days | Get Quote |
| 10 mg | 38 USD | 95 | 17 working days | Get Quote |
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1
MCULE-6295681184
- Component type: Main
-
1
MCULE-3549142744
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7122189409.sdf |
| SMILES | MCULE-7122189409.smiles |
| Standard InChI | MCULE-7122189409.inchi |
| InChIKey | MCULE-7122189409.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263339538 | 97 | As is | by synthesis |
| P-1275105659 | N/A | As is | by resynthesis (? - ? days) |
| P-552040006 | 95 | Main component | by resynthesis (? - ? days) |
| P-864086386 | 97 | Main component | in stock |
| P-481174371 | 95 | Main component | 2 g |
| P-893239220 | 95 | Main component | in stock |
| P-1272064560 | 97 | Main component | in stock |
| P-505509052 | 95 | Main component | in stock |
| P-563438911 | 97 | Main component | 5 g |
| P-852453947 | 95 | Main component | by synthesis |
| P-519761585 | 95 | Main component | in stock |
| P-428093735 | 95 | Main component | in stock |
| P-863736529 | 95 | Main component | by synthesis |
| P-500397816 | 95 | Main component | by synthesis |
| P-1263958233 | 90 | Main component | in stock |
| P-885534989 | 95 | Main component | by synthesis |
| P-896081533 | N/A | Main component | 3.958 g |
| P-502363853 | 90 | Main component | in stock |
| P-611469675 | 90 | Main component | in stock |
| P-867645779 | 95 | Main component as a main component | in stock |
| P-1266219108 | N/A | Main component as a main component | in stock |
| P-1274666465 | 95 | Main component as a main component | by synthesis |
| P-901291172 | N/A | Main component as a main component | in stock |
| P-904318146 | 90 | Main component as a main component | 3 g |
| P-1263096252 | N/A | Main component as a main component | by synthesis |
| P-596996577 | 95 | Main component as a main component | 3 g |
| P-1274813934 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864135053 | 95 | Main component as a main component | in stock |
| P-901477281 | 95 | Main component as a main component | by synthesis |
| P-596581390 | 95 | Main component as a main component | 250 mg |
| P-895221314 | 95 | Main component as a main component | in stock |
| P-906889821 | 95 | Main component as a main component | by synthesis |
| P-611469678 | 90 | Main component as a main component | in stock |
| P-855239811 | 90 | Main component as a main component | in stock |
| P-615645080 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 330.402 |
| logP | 1.9452 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 142.3 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.474 |
| Atoms | 44 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 22 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |

