7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one
TL;DR: 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one (CAS 198487-87-5) is a chemical compound with molecular formula C14H6Cl3NO2 and molecular weight 324.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(2,4-dichlorophenyl)-3,1-benzoxazin-4-one
Also Known As: 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one, 7-chloro-2-(2,4-dichlorophenyl)-3,1-benzoxazin-4-one, 7-Chloro-2-(2,4-dichlorophenyl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C14H6Cl3NO2 |
|---|---|
| Molecular Weight | 324.95 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.9464 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 198487-87-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N=C(OC2=O)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | XFWCTWKNBAKJOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one (CAS 198487-87-5), with molecular formula C14H6Cl3NO2 and molecular weight 324.95 g/mol. IUPAC: 7-chloro-2-(2,4-dichlorophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one
Property Insights of 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 4.8 indicates that 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 3 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 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one is 198487-87-5.
What is the molecular formula of 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one is C14H6Cl3NO2.
What is the molecular weight of 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one is 324.95 g/mol.
Where can I buy 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2-(2,4-dichlorophenyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.