![2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid structure](/static/products/7434/743445-05-8.webp)
2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid
TL;DR: 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid (CAS 743445-05-8) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzoic acid
Also Known As: 2-{[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid, 2-(((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)benzoic acid, 2-[({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)methyl]benzoic acid, 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzoic acid, 2-[[(5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL)THIO]METHYL]BENZOIC ACID
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.73164 |
| Topological Polar Surface Area | 80.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 859.86975 |
Chemical Identifiers
| CAS Number | 743445-05-8 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3C(=O)O)C |
Product Overview
2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid (CAS 743445-05-8), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid
Property Insights of 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid
The XLogP value of 2.73164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid. The TPSA of 80.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid has 1 hydrogen bond donor(s) and 5 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-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid?
The CAS number of 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid is 743445-05-8.
What is the molecular formula of 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid?
The molecular formula of 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid is C15H14N4O2S.
What is the molecular weight of 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid?
The molecular weight of 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid is 314.08 g/mol.
Where can I buy 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid?
You can request a quote for 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.