2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate
TL;DR: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate (CAS 865658-36-2) is a chemical compound with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl acetate
Also Known As: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate, 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl acetate, 3W-0255, 2-(6-chloro-3-oxo-2,4-dihydro-1,4-benzoxazin-2-yl)ethyl acetate, 2-[2-(Acetyloxy)ethyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C12H12ClNO4 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 1.9927 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.04547 |
| Heavy Atoms | 18 |
| Complexity | 488.9658 |
Chemical Identifiers
| CAS Number | 865658-36-2 |
|---|---|
| SMILES | CC(=O)OCCC1C(=O)NC2=C(O1)C=CC(=C2)Cl |
Product Overview
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate (CAS 865658-36-2), with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol. IUPAC: 2-(6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl acetate.
Chemical Property Profile of 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate
Property Insights of 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate
The XLogP value of 1.9927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate. Following Lipinski's Rule of Five, 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate 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 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate?
The CAS number of 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate is 865658-36-2.
What is the molecular formula of 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate?
The molecular formula of 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate is C12H12ClNO4.
What is the molecular weight of 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate?
The molecular weight of 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate is 269.05 g/mol.
Where can I buy 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate?
You can request a quote for 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate 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-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.