4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-
TL;DR: 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- (CAS 49700-31-4) is a chemical compound with molecular formula C16H12ClFN2O and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
Also Known As: 2-Amino-5-carboxy-1,3,4-oxadiazol, 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-, 3-(3-Chloro-o-tolyl)-2-fluoromethyl-4(3H)-quinazolinone, 3-(3-Chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4(3H)-one, 3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
| Molecular Formula | C16H12ClFN2O |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.06223 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 49700-31-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=NC3=CC=CC=C3C2=O)CF |
| InChIKey | WVXKNJCOURJHDJ-UHFFFAOYSA-N |
Product Overview
4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- (CAS 49700-31-4), with molecular formula C16H12ClFN2O and molecular weight 302.06 g/mol. IUPAC: 3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one.
Chemical Property Profile of 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-
Property Insights of 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-
The XLogP value of 3.5 indicates that 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- has 0 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 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-?
The CAS number of 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- is 49700-31-4.
What is the molecular formula of 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-?
The molecular formula of 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- is C16H12ClFN2O.
What is the molecular weight of 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-?
The molecular weight of 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- is 302.06 g/mol.
Where can I buy 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-?
You can request a quote for 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.