2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one
TL;DR: 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one (CAS 491861-55-3) is a chemical compound with molecular formula C14H6Cl2N2O4 and molecular weight 335.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one
Also Known As: 2-(2,4-dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one
| Molecular Formula | C14H6Cl2N2O4 |
|---|---|
| Molecular Weight | 335.97 g/mol |
| LogP | 4.07 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.97046 |
| Heavy Atoms | 22 |
| Complexity | 968.70435 |
Chemical Identifiers
| CAS Number | 491861-55-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=N2)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one (CAS 491861-55-3), with molecular formula C14H6Cl2N2O4 and molecular weight 335.97 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one
Property Insights of 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one
The XLogP value of 4.07 indicates that 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-6-nitro-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 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one?
The CAS number of 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one is 491861-55-3.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one?
The molecular formula of 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one is C14H6Cl2N2O4.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one?
The molecular weight of 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one is 335.97 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one?
You can request a quote for 2-(2,4-Dichlorophenyl)-6-nitro-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-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorophenyl)-6-nitro-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.