RefChem:284108
TL;DR: RefChem:284108 (CAS 74101-76-1) is a chemical compound with molecular formula C27H31N3O4 and molecular weight 461.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methylquinazolin-4-one;hydrate
Also Known As: 4(3H)-Quinazolinone, 3-(5-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-2-methylphenyl)-2-methyl-, hydrate, 3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methylquinazolin-4-one hydrate, 3-[5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-2-methylphenyl]-2-methylquinazolin-4(3H)-one--water (1/1), RefChem:284108
| Molecular Formula | C27H31N3O4 |
|---|---|
| Molecular Weight | 461.23 g/mol |
| LogP | 3.53 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.23145 |
| Heavy Atoms | 34 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 74101-76-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC)N3C(=NC4=CC=CC=C4C3=O)C.O |
| InChIKey | UWKUKZLXHPMWJJ-UHFFFAOYSA-N |
Product Overview
RefChem:284108 (CAS 74101-76-1), with molecular formula C27H31N3O4 and molecular weight 461.23 g/mol. IUPAC: 3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methylquinazolin-4-one;hydrate.
Chemical Property Profile of RefChem:284108
Property Insights of RefChem:284108
The XLogP value of 3.53 indicates that RefChem:284108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:284108. Following Lipinski's Rule of Five, RefChem:284108 has 2 hydrogen bond donor(s) and 6 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 RefChem:284108?
The CAS number of RefChem:284108 is 74101-76-1.
What is the molecular formula of RefChem:284108?
The molecular formula of RefChem:284108 is C27H31N3O4.
What is the molecular weight of RefChem:284108?
The molecular weight of RefChem:284108 is 461.23 g/mol.
Where can I buy RefChem:284108?
You can request a quote for RefChem:284108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284108?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.