![3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester structure](/static/products/5249/524927-71-7.webp)
3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester
TL;DR: 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester (CAS 524927-71-7) is a chemical compound with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester, 6-({[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid, 6-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 6-([[4-(4-CHLOROPHENYL)-3-(ETHOXYCARBONYL)-5-METHYL-2-THIENYL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID, 6-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C22H22ClNO5S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 5.15912 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.09073 |
| Heavy Atoms | 30 |
| Complexity | 995.70197 |
Chemical Identifiers
| CAS Number | 524927-71-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester (CAS 524927-71-7), with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol. IUPAC: 6-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester
Property Insights of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester
The XLogP value of 5.15912 indicates that 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester. Following Lipinski's Rule of Five, 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester?
The CAS number of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester is 524927-71-7.
What is the molecular formula of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester?
The molecular formula of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester is C22H22ClNO5S.
What is the molecular weight of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester?
The molecular weight of 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester is 447.09 g/mol.
Where can I buy 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester?
You can request a quote for 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-chlorophenyl)-5-methyl-, 3-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.