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MCULE-1594206522-0
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 | 145 USD | 90 | 9 working days | Get Quote |
| 5 mg | 145 USD | 90 | 9 working days | Get Quote |
| 10 mg | 145 USD | 90 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-1594206522-0.sdf |
| SMILES | MCULE-1594206522-0.smiles |
| Standard InChI | MCULE-1594206522-0.inchi |
| InChIKey | MCULE-1594206522-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867407154 | N/A | As is | by synthesis |
| P-894648464 | 95 | As is | in stock |
| P-851911043 | N/A | As is | by synthesis |
| P-591057656 | 95 | As is | by synthesis |
| P-454763525 | 90 | As is | in stock |
| P-34603513 | 90 | As is | by synthesis |
| P-580783105 | 90 | As is | by resynthesis (? - ? days) |
| P-580771100 | 90 | As is | in stock |
| P-854911230 | 95 | As is | by synthesis |
| P-491135516 | 95 | As is | by synthesis |
| P-33469736 | 90 | As is | in stock |
| P-502347523 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 253.723 |
| logP | 2.5878 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 29.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 71.242 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| 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 |
