2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide
TL;DR: 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide (CAS 5958-24-7) is a chemical compound with molecular formula C15H10Cl2N2O and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium
Also Known As: Cmpcqo, Clonazepine EP impurity B, Chlordiazepoxide EP Impurity B, 6-chloro-2-(chloromethyl)-4-phenylquinazoline 3-oxide, 6-chloro-2-(chloromethyl)-4-phenyl-quinazoline
| Molecular Formula | C15H10Cl2N2O |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.01703 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5958-24-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CCl)[O-] |
| InChIKey | KFDNKXWSTFABQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide (CAS 5958-24-7), with molecular formula C15H10Cl2N2O and molecular weight 304.02 g/mol. IUPAC: 6-chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium.
Chemical Property Profile of 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide
Property Insights of 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide
The XLogP value of 3.3 indicates that 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.4 Ų, 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide 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 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide?
The CAS number of 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide is 5958-24-7.
What is the molecular formula of 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide?
The molecular formula of 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide is C15H10Cl2N2O.
What is the molecular weight of 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide?
The molecular weight of 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide is 304.02 g/mol.
Where can I buy 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide?
You can request a quote for 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloromethyl-4-phenyl-6-chloroquinazoline 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.