alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol
TL;DR: alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol (CAS 52171-80-9) is a chemical compound with molecular formula C24H30ClN3O and molecular weight 411.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)quinazolin-5-yl]-2-(dibutylamino)ethanol
Also Known As: Sid 3743298, alpha-Di-n-butylaminomethyl-2-(p-chlorophenyl)-5-quinazolinemethanol, alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol, 1-[2-(4-chlorophenyl)quinazolin-5-yl]-2-(dibutylamino)ethanol, 5-Quinazolinemethanol, 2-(4-chlorophenyl)-alpha-((dibutylamino)methyl)-
| Molecular Formula | C24H30ClN3O |
|---|---|
| Molecular Weight | 411.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 411.20773 |
| Heavy Atoms | 29 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 52171-80-9 |
|---|---|
| SMILES | CCCCN(CCCC)CC(C1=C2C=NC(=NC2=CC=C1)C3=CC=C(C=C3)Cl)O |
| InChIKey | NNMNQSZICIFGTN-UHFFFAOYSA-N |
Product Overview
alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol (CAS 52171-80-9), with molecular formula C24H30ClN3O and molecular weight 411.21 g/mol. IUPAC: 1-[2-(4-chlorophenyl)quinazolin-5-yl]-2-(dibutylamino)ethanol.
Chemical Property Profile of alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol
Property Insights of alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol
The XLogP value of 5.5 indicates that alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol has 1 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 alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol?
The CAS number of alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol is 52171-80-9.
What is the molecular formula of alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol?
The molecular formula of alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol is C24H30ClN3O.
What is the molecular weight of alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol?
The molecular weight of alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol is 411.21 g/mol.
Where can I buy alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol?
You can request a quote for alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Di-n-butylaminomethyl-2-(4-chlorophenyl)-5-quinazolinemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.