3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone
TL;DR: 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone (CAS 342387-07-9) is a chemical compound with molecular formula C11H8Cl4N2O and molecular weight 323.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-2-(trichloromethyl)quinazolin-4-one
Also Known As: 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone, 3-(2-chloroethyl)-2-(trichloromethyl)quinazolin-4-one, AE-848/32192028
| Molecular Formula | C11H8Cl4N2O |
|---|---|
| Molecular Weight | 323.94 g/mol |
| LogP | 3.462 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.9391 |
| Heavy Atoms | 18 |
| Complexity | 632.9563 |
Chemical Identifiers
| CAS Number | 342387-07-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)C(Cl)(Cl)Cl)CCCl |
Product Overview
3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone (CAS 342387-07-9), with molecular formula C11H8Cl4N2O and molecular weight 323.94 g/mol. IUPAC: 3-(2-chloroethyl)-2-(trichloromethyl)quinazolin-4-one.
Chemical Property Profile of 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone
Property Insights of 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone
The XLogP value of 3.462 indicates that 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone has 0 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 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone?
The CAS number of 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone is 342387-07-9.
What is the molecular formula of 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone?
The molecular formula of 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone is C11H8Cl4N2O.
What is the molecular weight of 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone?
The molecular weight of 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone is 323.94 g/mol.
Where can I buy 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone?
You can request a quote for 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloroethyl)-2-(trichloromethyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.