![6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid structure](/static/products/4953/495383-27-2.webp)
6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid
TL;DR: 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid (CAS 495383-27-2) is a chemical compound with molecular formula C23H25NO5S and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid, 6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-((4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid, 6-({[4-(3,4-DIMETHYLPHENYL)-3-(ETHOXYCARBONYL)-2-THIENYL]AMINO}CARBONYL)-3-CYCLOHEXENE-1-CARBOXYLIC ACID, 6-[[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
| Molecular Formula | C23H25NO5S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 4.81414 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.14536 |
| Heavy Atoms | 30 |
| Complexity | 1007.0176 |
Chemical Identifiers
| CAS Number | 495383-27-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid (CAS 495383-27-2), with molecular formula C23H25NO5S and molecular weight 427.15 g/mol. IUPAC: 6-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid
Property Insights of 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid
The XLogP value of 4.81414 indicates that 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)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-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-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-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid is 495383-27-2.
What is the molecular formula of 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid is C23H25NO5S.
What is the molecular weight of 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid is 427.15 g/mol.
Where can I buy 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)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-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-({[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.