(Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid
TL;DR: (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid (CAS 58123-77-6) is a chemical compound with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)-2-sulfanylprop-2-enoic acid
Also Known As: 3-Hydroxy-4-iodobenzoic acid, KST-1A6206, (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid, (2e)-3-(4-chlorophenyl)-2-sulfanylacrylic acid, BIM-0023844.P001
| Molecular Formula | C9H7ClO2S |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.98553 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 58123-77-6 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C(=O)O)/S)Cl |
| InChIKey | VYZXSVKKNPHGGV-VMPITWQZSA-N |
Product Overview
(Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid (CAS 58123-77-6), with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol. IUPAC: (E)-3-(4-chlorophenyl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid
Property Insights of (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid. With a topological polar surface area (TPSA) of 38.3 Ų, (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid has 2 hydrogen bond donor(s) and 3 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 (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid?
The CAS number of (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid is 58123-77-6.
What is the molecular formula of (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid?
The molecular formula of (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid is C9H7ClO2S.
What is the molecular weight of (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid?
The molecular weight of (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid is 213.99 g/mol.
Where can I buy (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid?
You can request a quote for (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-Chlorophenyl)-2-Mercaptoacrylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.