(E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
TL;DR: (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 577764-31-9) is a chemical compound with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,3-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, 3-(2,3-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic Acid, (2E)-3-(2,3-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate, (E)-3-(2,3-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C14H15N3O4S |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 2.34812 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.07834 |
| Heavy Atoms | 22 |
| Complexity | 711.8635 |
Chemical Identifiers
| CAS Number | 577764-31-9 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C/C2=C(C(=CC=C2)OC)OC)/C(=O)O |
Product Overview
(E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 577764-31-9), with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol. IUPAC: (E)-3-(2,3-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
Property Insights of (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
The XLogP value of 2.34812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic 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 (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The CAS number of (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 577764-31-9.
What is the molecular formula of (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular formula of (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is C14H15N3O4S.
What is the molecular weight of (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular weight of (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 321.08 g/mol.
Where can I buy (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
You can request a quote for (E)-3-(2,3-dimethoxyphenyl)-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 (E)-3-(2,3-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2,3-dimethoxyphenyl)-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.