3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 678972-64-0) is a chemical compound with molecular formula C15H11ClN2O2S and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(3-Chloro-4-methoxy-phenyl)-2-mercapto-3H-quinazolin-4-one, 3-(3-chloro-4-methoxyphenyl)-2-sulfanylquinazolin-4(3H)-one, 3-(3-CHLORO-4-METHOXYPHENYL)-2-SULFANYL-4(3H)-QUINAZOLINONE
| Molecular Formula | C15H11ClN2O2S |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.71029 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.02298 |
| Heavy Atoms | 21 |
| Complexity | 946.2919 |
Chemical Identifiers
| CAS Number | 678972-64-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)Cl |
Product Overview
3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 678972-64-0), with molecular formula C15H11ClN2O2S and molecular weight 318.02 g/mol. IUPAC: 3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 3.71029 indicates that 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one has 1 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 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 678972-64-0.
What is the molecular formula of 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is C15H11ClN2O2S.
What is the molecular weight of 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 318.02 g/mol.
Where can I buy 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-methoxyphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.