![[4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate structure](/static/products/116/1164505-59-2.webp)
[4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
TL;DR: [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate (CAS 1164505-59-2) is a chemical compound with molecular formula C25H28N2O5S and molecular weight 468.1719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
Also Known As: [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate|2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]-N-(2-methylcyclohexyl)prop-2-enamide|4-{2-cyano-2-[(2-methylcyclohexyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methylbenzene-1-sulfonate|SMR000259679|MLS000390640|MLS003914877|CHEMBL1481525|EN300-26598149|Z44320409
Technical Specifications
| Molecular Formula | C25H28N2O5S |
| Molecular Weight | 468.1719 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.1719 Da |
| Heavy Atoms | 33 |
| Complexity | 848.0 |
| SMILES | CC1CCCCC1NC(=O)/C(=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)/C#N |
| InChIKey | ZWLSFUDMZGAPGI-XSFVSMFZSA-N |
Chemical Property Profile of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
Property Insights of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
The XLogP value of 5.8 indicates that [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
The CAS number of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate is 1164505-59-2.
What is the molecular formula of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
The molecular formula of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate is C25H28N2O5S.
What is the molecular weight of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
The molecular weight of [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate is 468.1719 g/mol.
Where can I buy [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
You can request a quote for [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.