7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one
TL;DR: 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one (CAS 312277-69-3) is a chemical compound with molecular formula C14H6ClN3O6 and molecular weight 346.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(3,5-dinitrophenyl)-3,1-benzoxazin-4-one
Also Known As: MixCom6_001897, BAS 00720992, BIM-0032216.P001, 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one, 7-chloro-2-(3,5-dinitrophenyl)-3,1-benzoxazin-4-one
| Molecular Formula | C14H6ClN3O6 |
|---|---|
| Molecular Weight | 346.99 g/mol |
| LogP | 3.3248 |
| Topological Polar Surface Area | 129.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.9945 |
| Heavy Atoms | 24 |
| Complexity | 1029.7994 |
Chemical Identifiers
| CAS Number | 312277-69-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N=C(OC2=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one (CAS 312277-69-3), with molecular formula C14H6ClN3O6 and molecular weight 346.99 g/mol. IUPAC: 7-chloro-2-(3,5-dinitrophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one
Property Insights of 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 3.3248 indicates that 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 7-chloro-2-(3,5-dinitrophenyl)-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 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one is 312277-69-3.
What is the molecular formula of 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one is C14H6ClN3O6.
What is the molecular weight of 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one is 346.99 g/mol.
Where can I buy 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 7-chloro-2-(3,5-dinitrophenyl)-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-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.