AO-081/40800459
TL;DR: AO-081/40800459 (CAS 496959-69-4) is a chemical compound with molecular formula C27H20ClFN2O2 and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
Also Known As: AO-081/40800459, 2-(4-((2-chloro-6-fluorobenzyl)oxy)phenyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one, 2-[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one, 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one, 2-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-phenyl-2,3-dihydro-4(1H)-quinazolinone
| Molecular Formula | C27H20ClFN2O2 |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 6.8292 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.11972 |
| Heavy Atoms | 33 |
| Complexity | 1275.0281 |
Chemical Identifiers
| CAS Number | 496959-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC5=C(C=CC=C5Cl)F |
Product Overview
AO-081/40800459 (CAS 496959-69-4), with molecular formula C27H20ClFN2O2 and molecular weight 458.12 g/mol. IUPAC: 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of AO-081/40800459
Property Insights of AO-081/40800459
The XLogP value of 6.8292 indicates that AO-081/40800459 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-081/40800459 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40800459 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-081/40800459?
The CAS number of AO-081/40800459 is 496959-69-4.
What is the molecular formula of AO-081/40800459?
The molecular formula of AO-081/40800459 is C27H20ClFN2O2.
What is the molecular weight of AO-081/40800459?
The molecular weight of AO-081/40800459 is 458.12 g/mol.
Where can I buy AO-081/40800459?
You can request a quote for AO-081/40800459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40800459?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40800459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.