![[2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid structure](/static/products/941/94113-29-8.png)
[2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid
TL;DR: [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid (CAS 94113-29-8) is a chemical compound with molecular formula C23H19NO7S and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-[5-(benzenesulfonamido)-2-hydroxyphenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid|2-[2-[3-[2-Hydroxy-5-[(phenylsulfonyl)amino]phenyl]-3-oxo-1-propen-1-yl]phenoxy]acetic acid
| Molecular Formula | C23H19NO7S |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 3.5525 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.08823 |
| Heavy Atoms | 32 |
| Complexity | 1268.5122 |
Chemical Identifiers
| CAS Number | 94113-29-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)C=CC3=CC=CC=C3OCC(=O)O |
Product Overview
[2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid (CAS 94113-29-8), with molecular formula C23H19NO7S and molecular weight 453.09 g/mol. IUPAC: 2-[2-[3-[5-(benzenesulfonamido)-2-hydroxyphenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid
Property Insights of [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid
The XLogP value of 3.5525 indicates that [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid. Following Lipinski's Rule of Five, [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid has 3 hydrogen bond donor(s) and 6 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-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid?
The CAS number of [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid is 94113-29-8.
What is the molecular formula of [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid?
The molecular formula of [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid is C23H19NO7S.
What is the molecular weight of [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid?
The molecular weight of [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid is 453.09 g/mol.
Where can I buy [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid?
You can request a quote for [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-{5-[(Benzenesulfonyl)amino]-2-hydroxyphenyl}-3-oxoprop-1-en-1-yl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.