(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
TL;DR: (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 577997-48-9) is a chemical compound with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid, 3-(3-ethoxy-4-methoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic Acid
| Molecular Formula | C15H17N3O4S |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 2.73822 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.09396 |
| Heavy Atoms | 23 |
| Complexity | 727.2621 |
Chemical Identifiers
| CAS Number | 577997-48-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(/C(=O)O)\SC2=NNC(=N2)C)OC |
Product Overview
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 577997-48-9), with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol. IUPAC: (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
Property Insights of (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
The XLogP value of 2.73822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(3-ethoxy-4-methoxyphenyl)-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 (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid. Following Lipinski's Rule of Five, (Z)-3-(3-ethoxy-4-methoxyphenyl)-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 (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The CAS number of (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 577997-48-9.
What is the molecular formula of (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular formula of (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is C15H17N3O4S.
What is the molecular weight of (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular weight of (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 335.09 g/mol.
Where can I buy (Z)-3-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
You can request a quote for (Z)-3-(3-ethoxy-4-methoxyphenyl)-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-(3-ethoxy-4-methoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(3-ethoxy-4-methoxyphenyl)-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.