7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one
TL;DR: 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one (CAS 313534-63-3) is a chemical compound with molecular formula C15H9ClN2O4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(4-methyl-3-nitrophenyl)-3,1-benzoxazin-4-one
Also Known As: 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one, 7-chloro-2-(4-methyl-3-nitrophenyl)-3,1-benzoxazin-4-one, 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C15H9ClN2O4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0251 |
| Heavy Atoms | 22 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 313534-63-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)O2)[N+](=O)[O-] |
| InChIKey | KBYKSHCROWQQSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one (CAS 313534-63-3), with molecular formula C15H9ClN2O4 and molecular weight 316.03 g/mol. IUPAC: 7-chloro-2-(4-methyl-3-nitrophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one
Property Insights of 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 3.7 indicates that 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 5 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-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one is 313534-63-3.
What is the molecular formula of 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one is C15H9ClN2O4.
What is the molecular weight of 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one is 316.03 g/mol.
Where can I buy 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 7-chloro-2-(4-methyl-3-nitrophenyl)-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-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2-(4-methyl-3-nitrophenyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.