2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid
TL;DR: 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid (CAS 40155-15-5) is a chemical compound with molecular formula C16H13ClN2O3 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-2-oxo-4-phenyl-4H-3,1-benzoxazin-1-yl)acetamide
Also Known As: 6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazine-1(4H)-acetamide, 4-Phenyl-6-chloro-1,4-dihydro-2H-3,1-benzoxazin-2-one-1-acetamide, 2-(6-chloro-2-oxo-4-phenyl-2h-3,1-benzoxazin-1(4h)-yl)acetamide, 2H-3,1-Benzoxazine-1(4H)-acetamide, 6-chloro-2-oxo-4-phenyl-, 2-(6-chloro-2-oxo-4-phenyl-4H-3,1-benzoxazin-1-yl)acetamide
| Molecular Formula | C16H13ClN2O3 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.06146 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 40155-15-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)N(C(=O)O2)CC(=O)N |
| InChIKey | WJEHXPYVLUZSBV-UHFFFAOYSA-N |
Product Overview
2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid (CAS 40155-15-5), with molecular formula C16H13ClN2O3 and molecular weight 316.06 g/mol. IUPAC: 2-(6-chloro-2-oxo-4-phenyl-4H-3,1-benzoxazin-1-yl)acetamide.
Chemical Property Profile of 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid
Property Insights of 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid. Following Lipinski's Rule of Five, 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid has 1 hydrogen bond donor(s) and 3 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-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid?
The CAS number of 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid is 40155-15-5.
What is the molecular formula of 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid?
The molecular formula of 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid is C16H13ClN2O3.
What is the molecular weight of 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid?
The molecular weight of 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid is 316.06 g/mol.
Where can I buy 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid?
You can request a quote for 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Chloro-2-oxo-4-phenyl-2H-3,1-benzoxazin-1(4H)-yl)ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.