7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one
TL;DR: 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one (CAS 868233-87-8) is a chemical compound with molecular formula C17H21ClN2O2S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-propan-2-ylquinazolin-4-one
Also Known As: 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one, 7-chloro-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-propan-2-ylquinazolin-4-one
| Molecular Formula | C17H21ClN2O2S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 4.3381 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.10123 |
| Heavy Atoms | 23 |
| Complexity | 806.57117 |
Chemical Identifiers
| CAS Number | 868233-87-8 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(C)(C)C |
Product Overview
7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one (CAS 868233-87-8), with molecular formula C17H21ClN2O2S and molecular weight 352.10 g/mol. IUPAC: 7-chloro-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-propan-2-ylquinazolin-4-one.
Chemical Property Profile of 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one
Property Insights of 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one
The XLogP value of 4.3381 indicates that 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one?
The CAS number of 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one is 868233-87-8.
What is the molecular formula of 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one?
The molecular formula of 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one is C17H21ClN2O2S.
What is the molecular weight of 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one?
The molecular weight of 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one is 352.10 g/mol.
Where can I buy 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one?
You can request a quote for 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-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-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.