![[4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate structure](/static/products/116/1164505-59-2.png)
[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 468.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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|EN300-26598149
| Molecular Formula | C25H28N2O5S |
|---|---|
| Molecular Weight | 468.17 g/mol |
| LogP | 4.3732 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.1719 |
| Heavy Atoms | 33 |
| Complexity | 1180.2683 |
Chemical Identifiers
| CAS Number | 1164505-59-2 |
|---|---|
| SMILES | CC1CCCCC1NC(=O)/C(=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)/C#N |
Product Overview
[4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate (CAS 1164505-59-2), with molecular formula C25H28N2O5S and molecular weight 468.17 g/mol. IUPAC: [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate.
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 4.3732 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 105.49 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 468.17 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO 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.