3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride
TL;DR: 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride (CAS 1049787-62-3) is a chemical compound with molecular formula C25H24ClN3O2 and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoic acid;hydrochloride
Also Known As: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoic Acid Hydrochloride, 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoic acid;hydrochloride, 3-((2-(4-(tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride
| Molecular Formula | C25H24ClN3O2 |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 6.4579 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.1557 |
| Heavy Atoms | 31 |
| Complexity | 1231.7015 |
Chemical Identifiers
| CAS Number | 1049787-62-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)O.Cl |
Product Overview
3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride (CAS 1049787-62-3), with molecular formula C25H24ClN3O2 and molecular weight 433.16 g/mol. IUPAC: 3-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]benzoic acid;hydrochloride.
Chemical Property Profile of 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride
Property Insights of 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride
The XLogP value of 6.4579 indicates that 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride. Following Lipinski's Rule of Five, 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride has 2 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-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride?
The CAS number of 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride is 1049787-62-3.
What is the molecular formula of 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride?
The molecular formula of 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride is C25H24ClN3O2.
What is the molecular weight of 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride?
The molecular weight of 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride is 433.16 g/mol.
Where can I buy 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride?
You can request a quote for 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-(4-(Tert-butyl)phenyl)quinazolin-4-yl)amino)benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.