![3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid structure](/static/products/7506/750613-98-0.webp)
3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid
TL;DR: 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid (CAS 750613-98-0) is a chemical compound with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoic acid
Also Known As: 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid, 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoic acid, 3-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-4-methoxybenzoic acid, 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic Acid, 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoicacid
| Molecular Formula | C18H19ClN2O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 2.5577 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0703 |
| Heavy Atoms | 27 |
| Complexity | 955.97437 |
Chemical Identifiers
| CAS Number | 750613-98-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl |
Product Overview
3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid (CAS 750613-98-0), with molecular formula C18H19ClN2O5S and molecular weight 410.07 g/mol. IUPAC: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoic acid.
Chemical Property Profile of 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid
Property Insights of 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid
The XLogP value of 2.5577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic 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 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid?
The CAS number of 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid is 750613-98-0.
What is the molecular formula of 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid?
The molecular formula of 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid is C18H19ClN2O5S.
What is the molecular weight of 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid?
The molecular weight of 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid is 410.07 g/mol.
Where can I buy 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid?
You can request a quote for 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl}-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.