4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
TL;DR: 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate (CAS 296773-40-5) is a chemical compound with molecular formula C16H10ClNO4 and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
Also Known As: BAS 00721040, 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate, AB00095898-01, [4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate, 4-(7-chloro-4-oxobenzo[d]1,3-oxazin-2-yl)phenyl acetate
| Molecular Formula | C16H10ClNO4 |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.02985 |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 296773-40-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)O2 |
| InChIKey | IOPJMTMJVLBVBW-UHFFFAOYSA-N |
Product Overview
4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate (CAS 296773-40-5), with molecular formula C16H10ClNO4 and molecular weight 315.03 g/mol. IUPAC: [4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate.
Chemical Property Profile of 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
Property Insights of 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
The XLogP value of 3.3 indicates that 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate. Following Lipinski's Rule of Five, 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate has 0 hydrogen bond donor(s) and 5 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-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The CAS number of 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is 296773-40-5.
What is the molecular formula of 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The molecular formula of 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is C16H10ClNO4.
What is the molecular weight of 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The molecular weight of 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is 315.03 g/mol.
Where can I buy 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
You can request a quote for 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(7-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.