3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one
TL;DR: 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one (CAS 59760-87-1) is a chemical compound with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-2-methylquinazolin-4-one
Also Known As: 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one, 3-(2-chloroethyl)-2-methyl-3H-4quinazolinone, 3-(2-chloroethyl)-2-methylquinazolin-4-one, 2-Methyl-3-chlorethyl-4(3H)-chinazolinon, 3-(2-chloroethyl)-2-methyl-3H-4-quinazolinone
| Molecular Formula | C11H11ClN2O |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.94372 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.05598 |
| Heavy Atoms | 15 |
| Complexity | 547.7695 |
Chemical Identifiers
| CAS Number | 59760-87-1 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1CCCl |
Product Overview
3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one (CAS 59760-87-1), with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol. IUPAC: 3-(2-chloroethyl)-2-methylquinazolin-4-one.
Chemical Property Profile of 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one
Property Insights of 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one
The XLogP value of 1.94372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one 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-methylquinazolin-4(3H)-one?
The CAS number of 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one is 59760-87-1.
What is the molecular formula of 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one?
The molecular formula of 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one is C11H11ClN2O.
What is the molecular weight of 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one?
The molecular weight of 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one is 222.06 g/mol.
Where can I buy 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one?
You can request a quote for 3-(2-chloroethyl)-2-methylquinazolin-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 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloroethyl)-2-methylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.