4-Chloro-2-(trichloromethyl)quinazoline
TL;DR: 4-Chloro-2-(trichloromethyl)quinazoline (CAS 3137-63-1) is a chemical compound with molecular formula C9H4Cl4N2 and molecular weight 279.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(trichloromethyl)quinazoline
Also Known As: 4-chloro-2-(trichloromethyl)quinazoline, 4-Chloro-2-[trichloromethyl]quinazoline, 2-(Trichloromethyl)-4-chloroquinazoline, Quinazoline, 4-chloro-2-trichloromethyl-, Quinazoline, 4-chloro-2-(trichloromethyl)-
| Molecular Formula | C9H4Cl4N2 |
|---|---|
| Molecular Weight | 279.91 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.91287 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 3137-63-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=N2)C(Cl)(Cl)Cl)Cl |
| InChIKey | KHWHZIOORKRESZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-(trichloromethyl)quinazoline (CAS 3137-63-1), with molecular formula C9H4Cl4N2 and molecular weight 279.91 g/mol. IUPAC: 4-chloro-2-(trichloromethyl)quinazoline.
Chemical Property Profile of 4-Chloro-2-(trichloromethyl)quinazoline
Property Insights of 4-Chloro-2-(trichloromethyl)quinazoline
The XLogP value of 4.5 indicates that 4-Chloro-2-(trichloromethyl)quinazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, 4-Chloro-2-(trichloromethyl)quinazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(trichloromethyl)quinazoline has 0 hydrogen bond donor(s) and 2 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 4-Chloro-2-(trichloromethyl)quinazoline?
The CAS number of 4-Chloro-2-(trichloromethyl)quinazoline is 3137-63-1.
What is the molecular formula of 4-Chloro-2-(trichloromethyl)quinazoline?
The molecular formula of 4-Chloro-2-(trichloromethyl)quinazoline is C9H4Cl4N2.
What is the molecular weight of 4-Chloro-2-(trichloromethyl)quinazoline?
The molecular weight of 4-Chloro-2-(trichloromethyl)quinazoline is 279.91 g/mol.
Where can I buy 4-Chloro-2-(trichloromethyl)quinazoline?
You can request a quote for 4-Chloro-2-(trichloromethyl)quinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(trichloromethyl)quinazoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(trichloromethyl)quinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.