![6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol structure](/static/products/713/713093-88-0.png)
6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol
TL;DR: 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol (CAS 713093-88-0) is a chemical compound with molecular formula C29H27ClN4O3S and molecular weight 546.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one
Also Known As: 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol, 6-chloro-3-((4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-4-phenylquinolin-2(1H)-one, 6-chloro-3-[[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one, 6-chloro-3-[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-4- phenylhydroquinolin-2-one, 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-4-phenylquinolin-2(1H)-one
| Molecular Formula | C29H27ClN4O3S |
|---|---|
| Molecular Weight | 546.15 g/mol |
| LogP | 6.6934 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.14923 |
| Heavy Atoms | 38 |
| Complexity | 1600.7832 |
Chemical Identifiers
| CAS Number | 713093-88-0 |
|---|---|
| SMILES | CCOCCCN1C(=NN=C1SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC |
Product Overview
6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol (CAS 713093-88-0), with molecular formula C29H27ClN4O3S and molecular weight 546.15 g/mol. IUPAC: 6-chloro-3-[[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol
Property Insights of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol
The XLogP value of 6.6934 indicates that 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol. Following Lipinski's Rule of Five, 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol?
The CAS number of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol is 713093-88-0.
What is the molecular formula of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol?
The molecular formula of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol is C29H27ClN4O3S.
What is the molecular weight of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol?
The molecular weight of 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol is 546.15 g/mol.
Where can I buy 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol?
You can request a quote for 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-{[4-(3-ethoxypropyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.