2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 110767-58-3) is a chemical compound with molecular formula C13H16N4O5S and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, ACETIC ACID, ((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-, ((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 3-(3,4,5-Trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo, 3-(3,4,5-Trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo [Italian]
| Molecular Formula | C13H16N4O5S |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 0.8614 |
| Topological Polar Surface Area | 121.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.08414 |
| Heavy Atoms | 23 |
| Complexity | 693.38074 |
Chemical Identifiers
| CAS Number | 110767-58-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)O |
Product Overview
2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 110767-58-3), with molecular formula C13H16N4O5S and molecular weight 340.08 g/mol. IUPAC: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 0.8614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. The TPSA of 121.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid has 2 hydrogen bond donor(s) and 8 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 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 110767-58-3.
What is the molecular formula of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is C13H16N4O5S.
What is the molecular weight of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 340.08 g/mol.
Where can I buy 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.