![6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid structure](/static/products/5151/515150-03-5.webp)
6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
TL;DR: 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 515150-03-5) is a chemical compound with molecular formula C21H21NO5S and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid, 6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-{[3-(methoxycarbonyl)-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 6-((3-(methoxycarbonyl)-4-(p-tolyl)thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid, 6-[[3-carbomethoxy-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C21H21NO5S |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.11562 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.11404 |
| Heavy Atoms | 28 |
| Complexity | 928.77264 |
Chemical Identifiers
| CAS Number | 515150-03-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (CAS 515150-03-5), with molecular formula C21H21NO5S and molecular weight 399.11 g/mol. IUPAC: 6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
Property Insights of 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
The XLogP value of 4.11562 indicates that 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-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-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-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-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The CAS number of 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 515150-03-5.
What is the molecular formula of 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is C21H21NO5S.
What is the molecular weight of 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid is 399.11 g/mol.
Where can I buy 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-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-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.