2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 154365-40-9) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid
Also Known As: 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid, 3,4-Dihydro-2-methyl-3-oxo-2H-1,4-benzoxazine-2-carboxylic acid, 2-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid, methyloxodihydrobenzoxazinecarboxylicacid
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 0.8608 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 442.80347 |
Chemical Identifiers
| CAS Number | 154365-40-9 |
|---|---|
| SMILES | CC1(C(=O)NC2=CC=CC=C2O1)C(=O)O |
Product Overview
2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 154365-40-9), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 0.8608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid has 2 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-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 154365-40-9.
What is the molecular formula of 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C10H9NO4.
What is the molecular weight of 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 207.05 g/mol.
Where can I buy 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.