![6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid structure](/static/products/4449/444905-71-9.webp)
6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
TL;DR: 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 444905-71-9) is a chemical compound with molecular formula C22H22FNO5S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid, 6-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-fluorophenyl)-5-methyl-, 3-ethyl ester, 6-([[3-(ETHOXYCARBONYL)-4-(4-FLUOROPHENYL)-5-METHYL-2-THIENYL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID, 6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C22H22FNO5S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 4.64482 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.12027 |
| Heavy Atoms | 30 |
| Complexity | 995.70197 |
Chemical Identifiers
| CAS Number | 444905-71-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 444905-71-9), with molecular formula C22H22FNO5S and molecular weight 431.12 g/mol. IUPAC: 6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
Property Insights of 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
The XLogP value of 4.64482 indicates that 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid 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 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The CAS number of 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 444905-71-9.
What is the molecular formula of 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is C22H22FNO5S.
What is the molecular weight of 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 431.12 g/mol.
Where can I buy 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.