7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one
TL;DR: 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one (CAS 771499-56-0) is a chemical compound with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(2-propan-2-ylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one, 7-Chloro-2,3-dihydro-3-[2-(1-methylethyl)phenyl]-2-thioxo-4(1H)-quinazolinone, 7-chloro-3-[2-(propan-2-yl)phenyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 7-chloro-3-(2-propan-2-ylphenyl)-2-sulfanylidene-1H-quinazolin-4-one, 7-chloro-3-(2-isopropylphenyl)-2-sulfanyl-quinazolin-4-one
| Molecular Formula | C17H15ClN2OS |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 4.82509 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.05936 |
| Heavy Atoms | 22 |
| Complexity | 972.2903 |
Chemical Identifiers
| CAS Number | 771499-56-0 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S |
Product Overview
7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one (CAS 771499-56-0), with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol. IUPAC: 7-chloro-3-(2-propan-2-ylphenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one
Property Insights of 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 4.82509 indicates that 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one has 1 hydrogen bond donor(s) and 2 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 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one is 771499-56-0.
What is the molecular formula of 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one is C17H15ClN2OS.
What is the molecular weight of 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one is 330.06 g/mol.
Where can I buy 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-3-(2-isopropylphenyl)-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.