2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
TL;DR: 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid (CAS 899710-25-9) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
Also Known As: 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid, 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid, 2-(2-methyl-3-oxo-2H-1,4-benzoxazin-4-yl)butanoic acid, 4H-1,4-Benzoxazine-4-acetic acid, alpha-ethyl-2,3-dihydro-2-methyl-3-oxo-, I+/--Ethyl-2,3-dihydro-2-methyl-3-oxo-4H-1,4-benzoxazine-4-acetic acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.6637 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 485.63452 |
Chemical Identifiers
| CAS Number | 899710-25-9 |
|---|---|
| SMILES | CCC(C(=O)O)N1C2=CC=CC=C2OC(C1=O)C |
Product Overview
2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid (CAS 899710-25-9), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid.
Chemical Property Profile of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
Property Insights of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
The XLogP value of 1.6637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid. Following Lipinski's Rule of Five, 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic 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-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
The CAS number of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid is 899710-25-9.
What is the molecular formula of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
The molecular formula of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid is C13H15NO4.
What is the molecular weight of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
The molecular weight of 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid is 249.10 g/mol.
Where can I buy 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
You can request a quote for 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.