(Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
TL;DR: (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 740814-95-3) is a chemical compound with molecular formula C12H9Cl2N3O2S and molecular weight 328.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(2,4-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, 3-(2,4-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic Acid, (2Z)-3-(2,4-dichlorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate, (Z)-3-(2,4-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C12H9Cl2N3O2S |
|---|---|
| Molecular Weight | 328.98 g/mol |
| LogP | 3.63772 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.97925 |
| Heavy Atoms | 20 |
| Complexity | 685.092 |
Chemical Identifiers
| CAS Number | 740814-95-3 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C\C2=C(C=C(C=C2)Cl)Cl)/C(=O)O |
Product Overview
(Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 740814-95-3), with molecular formula C12H9Cl2N3O2S and molecular weight 328.98 g/mol. IUPAC: (Z)-3-(2,4-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
Property Insights of (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
The XLogP value of 3.63772 indicates that (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid. Following Lipinski's Rule of Five, (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid has 2 hydrogen bond donor(s) and 4 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-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The CAS number of (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 740814-95-3.
What is the molecular formula of (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular formula of (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is C12H9Cl2N3O2S.
What is the molecular weight of (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular weight of (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 328.98 g/mol.
Where can I buy (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
You can request a quote for (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic 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-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(2,4-dichlorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.