AO-081/40800462
TL;DR: AO-081/40800462 (CAS 496959-70-7) is a chemical compound with molecular formula C28H23ClN2O2 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
Also Known As: AO-081/40800462, 2-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one, 2-(4-((4-chlorobenzyl)oxy)phenyl)-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one, 2-{4-[(4-chlorobenzyl)oxy]phenyl}-3-(4-methylphenyl)-2,3-dihydro-4(1H)-quinazolinone, 2-{4-[(4-chlorobenzyl)oxy]phenyl}-3-(4-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C28H23ClN2O2 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 6.99852 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1448 |
| Heavy Atoms | 33 |
| Complexity | 1268.8041 |
Chemical Identifiers
| CAS Number | 496959-70-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl |
Product Overview
AO-081/40800462 (CAS 496959-70-7), with molecular formula C28H23ClN2O2 and molecular weight 454.14 g/mol. IUPAC: 2-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of AO-081/40800462
Property Insights of AO-081/40800462
The XLogP value of 6.99852 indicates that AO-081/40800462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, AO-081/40800462 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40800462 has 1 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 AO-081/40800462?
The CAS number of AO-081/40800462 is 496959-70-7.
What is the molecular formula of AO-081/40800462?
The molecular formula of AO-081/40800462 is C28H23ClN2O2.
What is the molecular weight of AO-081/40800462?
The molecular weight of AO-081/40800462 is 454.14 g/mol.
Where can I buy AO-081/40800462?
You can request a quote for AO-081/40800462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40800462?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40800462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.