2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
TL;DR: 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one (CAS 312748-85-9) is a chemical compound with molecular formula C16H11ClN2O6 and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one
Also Known As: 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one, 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one, 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C16H11ClN2O6 |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 3.4338 |
| Topological Polar Surface Area | 104.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.03058 |
| Heavy Atoms | 25 |
| Complexity | 1046.7097 |
Chemical Identifiers
| CAS Number | 312748-85-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC |
Product Overview
2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one (CAS 312748-85-9), with molecular formula C16H11ClN2O6 and molecular weight 362.03 g/mol. IUPAC: 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
Property Insights of 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
The XLogP value of 3.4338 indicates that 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 7 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-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one is 312748-85-9.
What is the molecular formula of 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one is C16H11ClN2O6.
What is the molecular weight of 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one is 362.03 g/mol.
Where can I buy 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-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 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-3-nitrophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.