(E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid
TL;DR: (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid (CAS 578701-62-9) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-1-ylprop-2-enoic acid
Also Known As: (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid, (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-1-ylprop-2-enoic acid, (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(naphthalen-1-yl)prop-2-enoate
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.48412 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 865.21326 |
Chemical Identifiers
| CAS Number | 578701-62-9 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C/C2=CC=CC3=CC=CC=C32)/C(=O)O |
Product Overview
(E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid (CAS 578701-62-9), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-1-ylprop-2-enoic acid.
Chemical Property Profile of (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid
Property Insights of (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid
The XLogP value of 3.48412 indicates that (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)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 (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid. Following Lipinski's Rule of Five, (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)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 (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid?
The CAS number of (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid is 578701-62-9.
What is the molecular formula of (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid?
The molecular formula of (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid is C16H13N3O2S.
What is the molecular weight of (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid?
The molecular weight of (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid is 311.07 g/mol.
Where can I buy (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid?
You can request a quote for (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)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)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(naphthalen-1-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.