7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one
TL;DR: 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one (CAS 866049-04-9) is a chemical compound with molecular formula C23H27ClN2OS and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one
Also Known As: 6K-595S, 7-chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one, 7-chloro-3-(3,5-dimethylphenyl)-2-[(hexylsulfanyl)methyl]-4(3H)-quinazolinone, 7-chloro-3-(3,5-dimethylphenyl)-2-[(hexylsulfanyl)methyl]-3,4-dihydroquinazolin-4-one
| Molecular Formula | C23H27ClN2OS |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 6.46944 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.15326 |
| Heavy Atoms | 28 |
| Complexity | 1008.7714 |
Chemical Identifiers
| CAS Number | 866049-04-9 |
|---|---|
| SMILES | CCCCCCSCC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC(=CC(=C3)C)C |
Product Overview
7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one (CAS 866049-04-9), with molecular formula C23H27ClN2OS and molecular weight 414.15 g/mol. IUPAC: 7-chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one.
Chemical Property Profile of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one
Property Insights of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one
The XLogP value of 6.46944 indicates that 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one?
The CAS number of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one is 866049-04-9.
What is the molecular formula of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one?
The molecular formula of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one is C23H27ClN2OS.
What is the molecular weight of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one?
The molecular weight of 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one is 414.15 g/mol.
Where can I buy 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one?
You can request a quote for 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-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-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-(3,5-dimethylphenyl)-2-(hexylsulfanylmethyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.