![(2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid structure](/static/products/1164/1164476-35-0.webp)
(2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid
TL;DR: (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid (CAS 1164476-35-0) is a chemical compound with molecular formula C18H19NO6S2 and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
Also Known As: (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid, (2E)-3-(3,4-dimethoxy-5-{[2-(methylsulfanyl)phenyl]sulfamoyl}phenyl)prop-2-enoic acid, (E)-3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid, 3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic Acid
| Molecular Formula | C18H19NO6S2 |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 3.3243 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.06537 |
| Heavy Atoms | 27 |
| Complexity | 969.8123 |
Chemical Identifiers
| CAS Number | 1164476-35-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=CC=C2SC)OC |
Product Overview
(2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid (CAS 1164476-35-0), with molecular formula C18H19NO6S2 and molecular weight 409.07 g/mol. IUPAC: (E)-3-[3,4-dimethoxy-5-[(2-methylsulfanylphenyl)sulfamoyl]phenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid
Property Insights of (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid
The XLogP value of 3.3243 indicates that (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid. Following Lipinski's Rule of Five, (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid has 2 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 (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid?
The CAS number of (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid is 1164476-35-0.
What is the molecular formula of (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid?
The molecular formula of (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid is C18H19NO6S2.
What is the molecular weight of (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid?
The molecular weight of (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid is 409.07 g/mol.
Where can I buy (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid?
You can request a quote for (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[3,4-Dimethoxy-5-[[[2-(methylthio)phenyl]amino]sulfonyl]phenyl]-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.