2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
TL;DR: 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 305357-80-6) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methylphenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: BAS 02224973, 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate, [2-(3-methylphenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate, 4-oxo-2-(m-tolyl)-4H-benzo[d][1,3]oxazin-6-yl acetate, Acetic acid 4-oxo-2-m-tolyl-4H-benzo[d][1,3]oxazin-6-yl ester
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 3.08872 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 927.3354 |
Chemical Identifiers
| CAS Number | 305357-80-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)OC(=O)C)C(=O)O2 |
Product Overview
2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 305357-80-6), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: [2-(3-methylphenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Property Insights of 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
The XLogP value of 3.08872 indicates that 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate. Following Lipinski's Rule of Five, 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl 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 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The CAS number of 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 305357-80-6.
What is the molecular formula of 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular formula of 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is C17H13NO4.
What is the molecular weight of 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular weight of 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 295.08 g/mol.
Where can I buy 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
You can request a quote for 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methylphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.