![2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid structure](/static/products/5370/537017-41-7.webp)
2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
TL;DR: 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 537017-41-7) is a chemical compound with molecular formula C17H13Cl2N3O2S and molecular weight 393.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, {[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid, {[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-((4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C17H13Cl2N3O2S |
|---|---|
| Molecular Weight | 393.01 g/mol |
| LogP | 4.4769 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.01056 |
| Heavy Atoms | 25 |
| Complexity | 900.1636 |
Chemical Identifiers
| CAS Number | 537017-41-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 537017-41-7), with molecular formula C17H13Cl2N3O2S and molecular weight 393.01 g/mol. IUPAC: 2-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Property Insights of 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
The XLogP value of 4.4769 indicates that 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid has 1 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 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The CAS number of 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 537017-41-7.
What is the molecular formula of 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is C17H13Cl2N3O2S.
What is the molecular weight of 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 393.01 g/mol.
Where can I buy 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-benzyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.