2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 91759-73-8) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: CBKinase1_000930, CBKinase1_013330, 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, AB00095254-01, BRD-K75249948-001-01-1
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.1282 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 912.0546 |
Chemical Identifiers
| CAS Number | 91759-73-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O)OC |
Product Overview
2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 91759-73-8), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 3.1282 indicates that 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-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 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid has 1 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 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is 91759-73-8.
What is the molecular formula of 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is C18H17N3O4S.
What is the molecular weight of 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is 371.09 g/mol.
Where can I buy 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-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-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.