6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 116862-22-7) is a chemical compound with molecular formula C8H5ClN2O4 and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-nitro-4H-1,4-benzoxazin-3-one
Also Known As: 6-chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one, chloronitrobenzoxazinone, 6-chloro-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-chloro-7-nitro-4H-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-7-nitro-
| Molecular Formula | C8H5ClN2O4 |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 1.5791 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.99379 |
| Heavy Atoms | 15 |
| Complexity | 460.20004 |
Chemical Identifiers
| CAS Number | 116862-22-7 |
|---|---|
| SMILES | C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl |
Product Overview
6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 116862-22-7), with molecular formula C8H5ClN2O4 and molecular weight 227.99 g/mol. IUPAC: 6-chloro-7-nitro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.5791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one has 1 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 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 116862-22-7.
What is the molecular formula of 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one is C8H5ClN2O4.
What is the molecular weight of 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one is 227.99 g/mol.
Where can I buy 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-7-nitro-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.