![2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid structure](/static/products/7492/749219-09-8.webp)
2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid
TL;DR: 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid (CAS 749219-09-8) is a chemical compound with molecular formula C14H16Cl2N2O6S and molecular weight 410.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: 2,4-dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid, 2,4-dichloro-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid, 4-(5-Carboxy-2,4-dichloro-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester, 2,4-dichloro-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-benzoic Acid, 2,4-dichloro-5-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]benzoic acid
| Molecular Formula | C14H16Cl2N2O6S |
|---|---|
| Molecular Weight | 410.01 g/mol |
| LogP | 2.1544 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.01062 |
| Heavy Atoms | 25 |
| Complexity | 790.75684 |
Chemical Identifiers
| CAS Number | 749219-09-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl |
Product Overview
2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid (CAS 749219-09-8), with molecular formula C14H16Cl2N2O6S and molecular weight 410.01 g/mol. IUPAC: 2,4-dichloro-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid
Property Insights of 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid
The XLogP value of 2.1544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid. Following Lipinski's Rule of Five, 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid has 1 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-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid?
The CAS number of 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid is 749219-09-8.
What is the molecular formula of 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid?
The molecular formula of 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid is C14H16Cl2N2O6S.
What is the molecular weight of 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid?
The molecular weight of 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid is 410.01 g/mol.
Where can I buy 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid?
You can request a quote for 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic 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-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-5-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.