3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one
TL;DR: 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 877786-45-3) is a chemical compound with molecular formula C27H27ClN2O3 and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one
Also Known As: 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one, 3-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one, 3-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one, 3-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one
| Molecular Formula | C27H27ClN2O3 |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 6.20154 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.17102 |
| Heavy Atoms | 33 |
| Complexity | 1306.7709 |
Chemical Identifiers
| CAS Number | 877786-45-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC |
Product Overview
3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 877786-45-3), with molecular formula C27H27ClN2O3 and molecular weight 462.17 g/mol. IUPAC: 3-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Property Insights of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 6.20154 indicates that 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one?
The CAS number of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is 877786-45-3.
What is the molecular formula of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is C27H27ClN2O3.
What is the molecular weight of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one is 462.17 g/mol.
Where can I buy 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-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-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-chloro-3,5-dimethylphenoxy)butyl)-2-(4-methoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.