C18H17ClN4OS
TL;DR: C18H17ClN4OS (CAS 727402-84-8) is a chemical compound with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-2-prop-2-enylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132610, 9-(4-chlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(allylthio)-9-(4-chlorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(4-chlorophenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(4-chlorophenyl)-2-prop-2-enylsulfanyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C18H17ClN4OS |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 4.2316 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.08115 |
| Heavy Atoms | 25 |
| Complexity | 871.7013 |
Chemical Identifiers
| CAS Number | 727402-84-8 |
|---|---|
| SMILES | C=CCSC1=NN2C(C3=C(CCCC3=O)NC2=N1)C4=CC=C(C=C4)Cl |
Product Overview
C18H17ClN4OS (CAS 727402-84-8), with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol. IUPAC: 9-(4-chlorophenyl)-2-prop-2-enylsulfanyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of C18H17ClN4OS
Property Insights of C18H17ClN4OS
The XLogP value of 4.2316 indicates that C18H17ClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C18H17ClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17ClN4OS 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 C18H17ClN4OS?
The CAS number of C18H17ClN4OS is 727402-84-8.
What is the molecular formula of C18H17ClN4OS?
The molecular formula of C18H17ClN4OS is C18H17ClN4OS.
What is the molecular weight of C18H17ClN4OS?
The molecular weight of C18H17ClN4OS is 372.08 g/mol.
Where can I buy C18H17ClN4OS?
You can request a quote for C18H17ClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17ClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C18H17ClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.