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MCULE-2050518233
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 | 11 USD | 98 | 14 working days | Get Quote |
| 5 mg | 19 USD | 98 | 14 working days | Get Quote |
| 10 mg | 24 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2050518233.sdf |
| SMILES | MCULE-2050518233.smiles |
| Standard InChI | MCULE-2050518233.inchi |
| InChIKey | MCULE-2050518233.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903017918 | 98 | As is | 50 g |
| P-610962978 | 90 | As is | 1.9996 kg |
| P-489229062 | 97 | As is | in stock |
| P-1275108376 | N/A | As is | by resynthesis (? - ? days) |
| P-851265361 | 95 | As is | by synthesis |
| P-905266226 | 98 | As is | in stock |
| P-579480447 | 95 | As is | in stock |
| P-901406990 | 98 | As is | 50 g |
| P-854714124 | 95 | As is | in stock |
| P-1263159492 | 95 | As is | in stock |
| P-474025403 | 95 | As is | in stock |
| P-608271060 | 98 | As is | in stock |
| P-579712521 | 98 | As is | in stock |
| P-906797151 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 398.844 |
| logP | 3.06098 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 119.62 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 103.8617 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 1 |
| 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 |
