2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 892680-90-9) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, {[4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-[[(5Z)-4-(2,4-dimethylphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-[[4-(2,4-dimethylphenyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.43344 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 937.0658 |
Chemical Identifiers
| CAS Number | 892680-90-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3O)C |
Product Overview
2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 892680-90-9), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 2-[[4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 3.43344 indicates that 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid has 2 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-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 892680-90-9.
What is the molecular formula of 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is C18H17N3O3S.
What is the molecular weight of 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 355.10 g/mol.
Where can I buy 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-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-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.