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MCULE-5115912113
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 53 USD | 90 | 22 working days | Get Quote |
| 10 mg | 69 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5115912113.sdf |
| SMILES | MCULE-5115912113.smiles |
| Standard InChI | MCULE-5115912113.inchi |
| InChIKey | MCULE-5115912113.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-596427369 | 90 | As is | 81 mg |
| P-6371857 | 90 | As is | 100 mg |
| P-4676319 | 90 | As is | 22 mg |
| P-20009952 | 90 | As is | in stock |
| P-34794137 | 90 | As is | by synthesis |
| P-642153923 | 90 | As is | by synthesis |
| P-625914606 | 90 | As is | by synthesis |
| P-23823139 | 90 | As is | in stock |
| P-454035048 | 90 | As is | 20 mg |
| P-22791189 | 90 | As is | in stock |
| P-888430096 | 94 | As is | by resynthesis (? - ? days) |
| P-1033087 | 90 | As is | 223 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 320.344 |
| logP | 2.3261 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 98.36 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 84.4939 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
