2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE
TL;DR: 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE (CAS 1021996-03-1) is a chemical compound with molecular formula C17H11ClN4OS and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-3-pyridinyl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone
Also Known As: 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE, (2-chloropyridin-3-yl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone, (2-chloro-3-pyridyl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone, 2-chloro-3-[3-phenyl-5-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazole-4-carbonyl]pyridine, C17H11ClN4OS
| Molecular Formula | C17H11ClN4OS |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 3.4073 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.0342 |
| Heavy Atoms | 24 |
| Complexity | 917.84 |
Chemical Identifiers
| CAS Number | 1021996-03-1 |
|---|---|
| SMILES | C#CCSC1=NN=C(N1C(=O)C2=C(N=CC=C2)Cl)C3=CC=CC=C3 |
Product Overview
2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE (CAS 1021996-03-1), with molecular formula C17H11ClN4OS and molecular weight 354.03 g/mol. IUPAC: (2-chloro-3-pyridinyl)-(3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanone.
Chemical Property Profile of 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE
Property Insights of 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE
The XLogP value of 3.4073 indicates that 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE. Following Lipinski's Rule of Five, 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE has 0 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-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE?
The CAS number of 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE is 1021996-03-1.
What is the molecular formula of 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE?
The molecular formula of 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE is C17H11ClN4OS.
What is the molecular weight of 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE?
The molecular weight of 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE is 354.03 g/mol.
Where can I buy 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE?
You can request a quote for 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE?
Yes, KEHONG BIO provides custom synthesis services for 2-CHLORO(3-PYRIDYL) 5-PHENYL-2-PROP-2-YNYLTHIO(1,3,4-TRIAZOLYL) KETONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.