![6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid structure](/static/products/4450/445002-66-4.webp)
6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
TL;DR: 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid (CAS 445002-66-4) is a chemical compound with molecular formula C24H27NO5S and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(2,5-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 6-({[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid, 6-[[4-(2,5-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-((4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid
| Molecular Formula | C24H27NO5S |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 5.12256 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.16098 |
| Heavy Atoms | 31 |
| Complexity | 1052.4794 |
Chemical Identifiers
| CAS Number | 445002-66-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=C(C=CC(=C2)C)C)C)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid (CAS 445002-66-4), with molecular formula C24H27NO5S and molecular weight 441.16 g/mol. IUPAC: 6-[[4-(2,5-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Property Insights of 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
The XLogP value of 5.12256 indicates that 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-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-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid 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 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is 445002-66-4.
What is the molecular formula of 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is C24H27NO5S.
What is the molecular weight of 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid is 441.16 g/mol.
Where can I buy 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-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-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[4-(2,5-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.