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MCULE-9050004412-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 52 USD | 95 | 22 working days | Get Quote |
| 10 mg | 52 USD | 95 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9050004412-0.sdf |
| SMILES | MCULE-9050004412-0.smiles |
| Standard InChI | MCULE-9050004412-0.inchi |
| InChIKey | MCULE-9050004412-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634384 | 95 | As is | in stock |
| P-875799217 | 95 | As is | in stock |
| P-904570854 | 95 | As is | by resynthesis (? - ? days) |
| P-851469281 | N/A | As is | by synthesis |
| P-611045918 | 95 | As is | by synthesis |
| P-492269723 | 95 | As is | in stock |
| P-6111448 | 90 | As is | 100 mg |
| P-861370759 | 95 | As is | by synthesis |
| P-855948708 | 95 | As is | 1000 mg |
| P-864073087 | 95 | As is | by synthesis |
| P-454166240 | 90 | As is | 19 mg |
| P-855225179 | 90 | As is | in stock |
| P-893681886 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.301 |
| logP | 2.2898 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 101.52 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.9404 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
