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MCULE-1712236079-0
Structure
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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 | 35 USD | 98 | 16 working days | Get Quote |
| 5 mg | 35 USD | 98 | 16 working days | Get Quote |
| 10 mg | 35 USD | 98 | 16 working days | Get Quote |
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1
MCULE-2813149515-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1712236079-0.sdf |
| SMILES | MCULE-1712236079-0.smiles |
| Standard InChI | MCULE-1712236079-0.inchi |
| InChIKey | MCULE-1712236079-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-611622321 | 99 | As is | in stock |
| P-864317916 | 95 | As is | by synthesis |
| P-901460970 | 95 | As is | by synthesis |
| P-861387190 | 95 | As is | by synthesis |
| P-596566971 | 97 | As is | 5 g |
| P-889737572 | 95 | As is | 1000 g |
| P-856042641 | 90 | As is | 2 g |
| P-31194747 | 90 | As is | 2 g |
| P-899992634 | 95 | As is | in stock |
| P-619672769 | 98 | As is | in stock |
| P-617401805 | N/A | As is | in stock |
| P-854989374 | 90 | As is | in stock |
| P-864228915 | 95 | Main component | by synthesis |
| P-505501323 | 95 | Main component | in stock |
| P-899990607 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 215.718 |
| logP | 3.0385 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.0877 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
