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MCULE-3097084405
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 | 91 USD | 95 | 24 working days | Get Quote |
| 5 mg | 91 USD | 95 | 24 working days | Get Quote |
| 10 mg | 91 USD | 95 | 24 working days | Get Quote |
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1
MCULE-5286985495
- Component type: Main
-
1
MCULE-9976402631
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3097084405.sdf |
| SMILES | MCULE-3097084405.smiles |
| Standard InChI | MCULE-3097084405.inchi |
| InChIKey | MCULE-3097084405.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890229616 | 95 | As is | by synthesis |
| P-903004420 | 95 | As is | in stock |
| P-1274590572 | 95 | As is | by synthesis |
| P-1264555924 | 95 | Main component | 3 g |
| P-1263353675 | 95 | Main component | 2.197 g |
| P-905498333 | N/A | Main component | in stock |
| P-864067666 | 95 | Main component | by synthesis |
| P-1266980759 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 444.411 |
| logP | 1.516 |
| H-bond acceptors | 13 |
| H-bond donors | 10 |
| Rotatable bonds | 15 |
| PSA | 253.52 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 99.1693 |
| Atoms | 57 |
| Rings | 0 |
| Heavy atoms | 30 |
| Hydrogen atoms | 27 |
| Heteroatoms | 16 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 2 |
