![[(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate structure](/static/products/1314/131447-90-0.webp)
[(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate
TL;DR: [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate (CAS 131447-90-0) is a chemical compound with molecular formula C17H27NO3 and molecular weight 293.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate
Also Known As: 4-Chloro-7-diethylamino-chromen-2-one, [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate, -3-ACETOXY-3-METHYL-6- -2- CYCLOHEXANENITRILE, (1S,2S,3R,6S)-3-ACETOXY-3-METHYL-6-(1-METHYLETHYL)-2-(3-OXOBUTYL) CYCLOHEXANENITRILE, (1S,2S,3R,6S)-3-ACETOXY-3-METHYL-6-(1-METHYLETHYL)-2-(3-OXOBUTYL)CYCLOHEXANENITRILE
Technical Specifications
| Molecular Formula | C17H27NO3 |
| Molecular Weight | 293.1991 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.1991 Da |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
| SMILES | CC(C)[C@@H]1CC[C@@]([C@H]([C@H]1C#N)CCC(=O)C)(C)OC(=O)C |
| InChIKey | OETYWDPXRCDDQP-LUKYLMHMSA-N |
Chemical Property Profile of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate
Property Insights of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate. Following Lipinski's Rule of Five, [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate?
The CAS number of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate is 131447-90-0.
What is the molecular formula of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate?
The molecular formula of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate is C17H27NO3.
What is the molecular weight of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate?
The molecular weight of [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate is 293.1991 g/mol.
Where can I buy [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate?
You can request a quote for [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate?
Yes, CoreyChem provides custom synthesis services for [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.