C18H15Cl2N5OS
TL;DR: C18H15Cl2N5OS (CAS 332909-52-1) is a chemical compound with molecular formula C18H15Cl2N5OS and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01816149, N-(3,4-dichlorophenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide, 2-((4-allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dichlorophenyl)acetamide, N-(3,4-dichlorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3,4-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H15Cl2N5OS |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 4.5637 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.03745 |
| Heavy Atoms | 27 |
| Complexity | 961.64075 |
Chemical Identifiers
| CAS Number | 332909-52-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=NC=C3 |
Product Overview
C18H15Cl2N5OS (CAS 332909-52-1), with molecular formula C18H15Cl2N5OS and molecular weight 419.04 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of C18H15Cl2N5OS
Property Insights of C18H15Cl2N5OS
The XLogP value of 4.5637 indicates that C18H15Cl2N5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H15Cl2N5OS. Following Lipinski's Rule of Five, C18H15Cl2N5OS has 1 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 C18H15Cl2N5OS?
The CAS number of C18H15Cl2N5OS is 332909-52-1.
What is the molecular formula of C18H15Cl2N5OS?
The molecular formula of C18H15Cl2N5OS is C18H15Cl2N5OS.
What is the molecular weight of C18H15Cl2N5OS?
The molecular weight of C18H15Cl2N5OS is 419.04 g/mol.
Where can I buy C18H15Cl2N5OS?
You can request a quote for C18H15Cl2N5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H15Cl2N5OS?
Yes, KEHONG BIO provides custom synthesis services for C18H15Cl2N5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.