4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one
TL;DR: 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one (CAS 123282-06-4) is a chemical compound with molecular formula C15H11ClN2O4 and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one
Also Known As: 4-benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one, 4-benzyl-6-chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one, AN-829/13220297
| Molecular Formula | C15H11ClN2O4 |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 3.1738 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04074 |
| Heavy Atoms | 22 |
| Complexity | 748.7077 |
Chemical Identifiers
| CAS Number | 123282-06-4 |
|---|---|
| SMILES | C1C(=O)N(C2=CC(=C(C=C2O1)[N+](=O)[O-])Cl)CC3=CC=CC=C3 |
Product Overview
4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one (CAS 123282-06-4), with molecular formula C15H11ClN2O4 and molecular weight 318.04 g/mol. IUPAC: 4-benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one.
Chemical Property Profile of 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one
Property Insights of 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one
The XLogP value of 3.1738 indicates that 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one has 0 hydrogen bond donor(s) and 4 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 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one?
The CAS number of 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one is 123282-06-4.
What is the molecular formula of 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one?
The molecular formula of 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one is C15H11ClN2O4.
What is the molecular weight of 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one?
The molecular weight of 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one is 318.04 g/mol.
Where can I buy 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one?
You can request a quote for 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-6-chloro-7-nitro-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.