![{4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid structure](/static/products/7280/728013-75-0.webp)
{4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid
TL;DR: {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid (CAS 728013-75-0) is a chemical compound with molecular formula C19H14N4O2S and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
Also Known As: CBKinase1_012396, CBKinase1_024796, A3841/0163130, {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid, 2-[4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid
| Molecular Formula | C19H14N4O2S |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 3.77219 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.08374 |
| Heavy Atoms | 26 |
| Complexity | 1162.1017 |
Chemical Identifiers
| CAS Number | 728013-75-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=C(C=C4)CC(=O)O |
Product Overview
{4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid (CAS 728013-75-0), with molecular formula C19H14N4O2S and molecular weight 362.08 g/mol. IUPAC: 2-[4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetic acid.
Chemical Property Profile of {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid
Property Insights of {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid
The XLogP value of 3.77219 indicates that {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid. Following Lipinski's Rule of Five, {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid has 2 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 {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid?
The CAS number of {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid is 728013-75-0.
What is the molecular formula of {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid?
The molecular formula of {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid is C19H14N4O2S.
What is the molecular weight of {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid?
The molecular weight of {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid is 362.08 g/mol.
Where can I buy {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid?
You can request a quote for {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.