6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone
TL;DR: 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone (CAS 284682-85-5) is a chemical compound with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[(2-methylphenyl)methyl]quinazolin-4-one
Also Known As: 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone, AQ-407/41702199, 6-chloro-3-[(2-methylphenyl)methyl]quinazolin-4-one, 4(3H)-Quinazolinone, 6-chloro-3-[(2-methylphenyl)methyl]-, 6-chloro-3-[(2-methylphenyl)methyl]-3,4-dihydroquinazolin-4-one
| Molecular Formula | C16H13ClN2O |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.07166 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 284682-85-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)Cl |
| InChIKey | PKLZUQOGACVOSU-UHFFFAOYSA-N |
Product Overview
6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone (CAS 284682-85-5), with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol. IUPAC: 6-chloro-3-[(2-methylphenyl)methyl]quinazolin-4-one.
Chemical Property Profile of 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone
Property Insights of 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone
The XLogP value of 3.4 indicates that 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-(2-methylbenzyl)-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 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone?
The CAS number of 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone is 284682-85-5.
What is the molecular formula of 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone?
The molecular formula of 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone is C16H13ClN2O.
What is the molecular weight of 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone?
The molecular weight of 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone is 284.07 g/mol.
Where can I buy 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone?
You can request a quote for 6-chloro-3-(2-methylbenzyl)-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 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-(2-methylbenzyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.