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MCULE-4174104977
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 | 14 USD | 98 | 14 working days | Get Quote |
| 5 mg | 14 USD | 98 | 14 working days | Get Quote |
| 10 mg | 14 USD | 98 | 14 working days | Get Quote |
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MCULE-1424013780
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4174104977.sdf |
| SMILES | MCULE-4174104977.smiles |
| Standard InChI | MCULE-4174104977.inchi |
| InChIKey | MCULE-4174104977.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903026021 | 98 | As is | 10 g |
| P-610962401 | 90 | As is | 79.149 g |
| P-489140339 | 97 | As is | in stock |
| P-580719257 | 98 | As is | 1.6 g |
| P-851266937 | 95 | As is | by synthesis |
| P-872749564 | 98 | As is | in stock |
| P-579479797 | 95 | As is | in stock |
| P-905326788 | 99 | As is | 10 g |
| P-901411527 | 99 | As is | 10 g |
| P-899992933 | 95 | As is | in stock |
| P-854717683 | 95 | As is | in stock |
| P-474024585 | 95 | As is | in stock |
| P-579712497 | N/A | As is | in stock |
| P-895195767 | 95 | As a main component | by synthesis |
| P-584623883 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 406.412 |
| logP | 3.31978 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 110.06 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.4409 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
