![7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one structure](/static/products/868/86806-29-3.png)
7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
TL;DR: 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one (CAS 86806-29-3) is a chemical compound with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
Also Known As: 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one, (E)-7-chloro-2-(3-nitrostyryl)-4H-benzo[d][1,3]oxazin-4-one, 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one, 7-chloro-2-[(E)-2-(3-nitrophenyl)vinyl]-4H-3,1-benzoxazin-4-one, 7-CHLORO-2-[(1E)-2-(3-NITROPHENYL)ETHENYL]-4H-3,1-BENZOXAZIN-4-ONE
| Molecular Formula | C16H9ClN2O4 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 3.92 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0251 |
| Heavy Atoms | 23 |
| Complexity | 994.7819 |
Chemical Identifiers
| CAS Number | 86806-29-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=NC3=C(C=CC(=C3)Cl)C(=O)O2 |
Product Overview
7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one (CAS 86806-29-3), with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol. IUPAC: 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Property Insights of 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
The XLogP value of 3.92 indicates that 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-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 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-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-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
The CAS number of 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one is 86806-29-3.
What is the molecular formula of 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
The molecular formula of 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one is C16H9ClN2O4.
What is the molecular weight of 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
The molecular weight of 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one is 328.03 g/mol.
Where can I buy 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
You can request a quote for 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-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-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.