![4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid structure](/static/products/3721/372152-98-2.webp)
4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid
TL;DR: 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid (CAS 372152-98-2) is a chemical compound with molecular formula C19H22ClNO5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid, 4-chloro-6-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 4-chloro-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C19H22ClNO5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 3.9756 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.09073 |
| Heavy Atoms | 27 |
| Complexity | 800.2658 |
Chemical Identifiers
| CAS Number | 372152-98-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=CCC3C(=O)O)Cl |
Product Overview
4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid (CAS 372152-98-2), with molecular formula C19H22ClNO5S and molecular weight 411.09 g/mol. IUPAC: 4-chloro-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid
Property Insights of 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid
The XLogP value of 3.9756 indicates that 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic 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 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid. Following Lipinski's Rule of Five, 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic 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 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid?
The CAS number of 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid is 372152-98-2.
What is the molecular formula of 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid?
The molecular formula of 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid is C19H22ClNO5S.
What is the molecular weight of 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid?
The molecular weight of 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid is 411.09 g/mol.
Where can I buy 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid?
You can request a quote for 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-6-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.