4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
TL;DR: 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline (CAS 51660-11-8) is a chemical compound with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline
Also Known As: 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline, 4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline, 7N-430S, 4-chloro-2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline, 4CH-012111
| Molecular Formula | C9H11ClN2S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 2.7307 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.03314 |
| Heavy Atoms | 13 |
| Complexity | 327.6359 |
Chemical Identifiers
| CAS Number | 51660-11-8 |
|---|---|
| SMILES | CSC1=NC2=C(CCCC2)C(=N1)Cl |
Product Overview
4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline (CAS 51660-11-8), with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline.
Chemical Property Profile of 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
Property Insights of 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline
The XLogP value of 2.7307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline has 0 hydrogen bond donor(s) and 3 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-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline?
The CAS number of 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline is 51660-11-8.
What is the molecular formula of 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline?
The molecular formula of 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline is C9H11ClN2S.
What is the molecular weight of 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline?
The molecular weight of 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline is 214.03 g/mol.
Where can I buy 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline?
You can request a quote for 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylthio)-5,6,7,8-tetrahydroquinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.