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MCULE-5087739013
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 | 119 USD | 95 | 10 working days | Get Quote |
| 5 mg | 119 USD | 95 | 10 working days | Get Quote |
| 10 mg | 149 USD | 98 | 8 working days | Get Quote |
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MCULE-2300360600
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5087739013.sdf |
| SMILES | MCULE-5087739013.smiles |
| Standard InChI | MCULE-5087739013.inchi |
| InChIKey | MCULE-5087739013.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903029014 | 98 | As is | 50 g |
| P-893507025 | 90 | As is | 37.241 g |
| P-590633683 | 98 | As is | 1.65 g |
| P-1275105305 | N/A | As is | by resynthesis (? - ? days) |
| P-851328424 | 95 | As is | by synthesis |
| P-861382120 | 98 | As is | by synthesis |
| P-868658479 | 95 | As is | in stock |
| P-901408219 | 98 | As is | 50 g |
| P-1275041749 | 95 | As is | in stock |
| P-854713852 | 95 | As is | in stock |
| P-1268711023 | 95 | As is | in stock |
| P-584615114 | 95 | As is | in stock |
| P-617404194 | 98 | As is | in stock |
| P-905523400 | 99 | As a main component | by synthesis |
| P-888163768 | 95 | As a main component | by synthesis |
| P-1272497794 | 95 | As a main component | by synthesis |
| P-863723354 | 95 | As a main component | in stock |
| P-896070625 | 95 | As a main component | in stock |
| P-888168895 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 449.836 |
| logP | 3.6009 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 103.37 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 113.2647 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 18 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
