3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
TL;DR: 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid (CAS 105897-30-1) is a chemical compound with molecular formula C11H9NO5 and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
Also Known As: Benzoxazolinate, Degradation product II-F3, 3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid, 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid, 2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-7-methoxy-2-methylen e-3-oxo-
| Molecular Formula | C11H9NO5 |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 1.238 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.04807 |
| Heavy Atoms | 17 |
| Complexity | 534.9085 |
Chemical Identifiers
| CAS Number | 105897-30-1 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)OC(=C)C(=O)N2)C(=O)O |
Product Overview
3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid (CAS 105897-30-1), with molecular formula C11H9NO5 and molecular weight 235.05 g/mol. IUPAC: 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid.
Chemical Property Profile of 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
Property Insights of 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
The XLogP value of 1.238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid. Following Lipinski's Rule of Five, 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid has 2 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 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid?
The CAS number of 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid is 105897-30-1.
What is the molecular formula of 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid?
The molecular formula of 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid is C11H9NO5.
What is the molecular weight of 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid?
The molecular weight of 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid is 235.05 g/mol.
Where can I buy 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid?
You can request a quote for 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.