2-(4-Tert-butylphenyl)-4-chloroquinazoline
TL;DR: 2-(4-Tert-butylphenyl)-4-chloroquinazoline (CAS 59455-94-6) is a chemical compound with molecular formula C18H17ClN2 and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)-4-chloroquinazoline
Also Known As: 2-(4-tert-butylphenyl)-4-chloroquinazoline, 4-chloro-2-(4-tert-butylphenyl)quinazoline, 2-[4-(tert-butyl)phenyl]-4-chloroquinazoline, Quinazoline, 4-chloro-2-[4-(1,1-dimethylethyl)phenyl]-, 4-Chloro-2-[4-(1,1-dimethylethyl)phenyl]quinazoline
| Molecular Formula | C18H17ClN2 |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.10803 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 59455-94-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)Cl |
| InChIKey | FYLZBCRPYWYANT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Tert-butylphenyl)-4-chloroquinazoline (CAS 59455-94-6), with molecular formula C18H17ClN2 and molecular weight 296.11 g/mol. IUPAC: 2-(4-tert-butylphenyl)-4-chloroquinazoline.
Chemical Property Profile of 2-(4-Tert-butylphenyl)-4-chloroquinazoline
Property Insights of 2-(4-Tert-butylphenyl)-4-chloroquinazoline
The XLogP value of 6.1 indicates that 2-(4-Tert-butylphenyl)-4-chloroquinazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, 2-(4-Tert-butylphenyl)-4-chloroquinazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Tert-butylphenyl)-4-chloroquinazoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Tert-butylphenyl)-4-chloroquinazoline?
The CAS number of 2-(4-Tert-butylphenyl)-4-chloroquinazoline is 59455-94-6.
What is the molecular formula of 2-(4-Tert-butylphenyl)-4-chloroquinazoline?
The molecular formula of 2-(4-Tert-butylphenyl)-4-chloroquinazoline is C18H17ClN2.
What is the molecular weight of 2-(4-Tert-butylphenyl)-4-chloroquinazoline?
The molecular weight of 2-(4-Tert-butylphenyl)-4-chloroquinazoline is 296.11 g/mol.
Where can I buy 2-(4-Tert-butylphenyl)-4-chloroquinazoline?
You can request a quote for 2-(4-Tert-butylphenyl)-4-chloroquinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Tert-butylphenyl)-4-chloroquinazoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylphenyl)-4-chloroquinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.