![2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid structure](/static/products/4449/444906-62-1.webp)
2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
TL;DR: 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid (CAS 444906-62-1) is a chemical compound with molecular formula C23H27NO5S and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid, 3-thiophenecarboxylic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-4-(3,4-dimethylphenyl)-5-methyl-, 3-methyl ester, 2-([[4-(3,4-DIMETHYLPHENYL)-3-(METHOXYCARBONYL)-5-METHYL-2-THIENYL]AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID, 2-({[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid, 2-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 4.95646 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 993.72 |
Chemical Identifiers
| CAS Number | 444906-62-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3CCCCC3C(=O)O)C)C |
Product Overview
2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid (CAS 444906-62-1), with molecular formula C23H27NO5S and molecular weight 429.16 g/mol. IUPAC: 2-[[4-(3,4-dimethylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
Property Insights of 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid
The XLogP value of 4.95646 indicates that 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic 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 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic 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 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The CAS number of 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is 444906-62-1.
What is the molecular formula of 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The molecular formula of 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is C23H27NO5S.
What is the molecular weight of 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
The molecular weight of 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid is 429.16 g/mol.
Where can I buy 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
You can request a quote for 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.