![ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate structure](/static/products/5814/5814-61-9.webp)
ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
TL;DR: ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate (CAS 5814-61-9) is a chemical compound with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate, A3284/0139747, ethyl 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate, ETHYL 4-(2-CYANOANILINO)-6-(3-METHOXYPHENYL)-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE, Ethyl 5-(2-cyanoanilino)-3'-methoxy-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
| Molecular Formula | C23H22N2O4 |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 3.79858 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.15796 |
| Heavy Atoms | 29 |
| Complexity | 990.3675 |
Chemical Identifiers
| CAS Number | 5814-61-9 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC=C2C#N)C3=CC(=CC=C3)OC |
Product Overview
ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate (CAS 5814-61-9), with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol. IUPAC: ethyl 4-(2-cyanoanilino)-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Property Insights of ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
The XLogP value of 3.79858 indicates that ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate 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 ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate?
The CAS number of ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate is 5814-61-9.
What is the molecular formula of ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate?
The molecular formula of ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate is C23H22N2O4.
What is the molecular weight of ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate?
The molecular weight of ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate is 390.16 g/mol.
Where can I buy ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate?
You can request a quote for ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.