2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
TL;DR: 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid (CAS 134076-69-0) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxylic acid
Also Known As: 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, 2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxylic acid, 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid #, 6-Methyl-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-azabenzocycloheptene-2-carboxylic acid, RefChem:263427
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 134076-69-0 |
|---|---|
| SMILES | CC1CC(=O)NC2=C(O1)C=CC(=C2)C(=O)O |
| InChIKey | UTYWAACFFFXNCC-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid (CAS 134076-69-0), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxylic acid.
Chemical Property Profile of 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
Property Insights of 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid. Following Lipinski's Rule of Five, 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-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 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid?
The CAS number of 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid is 134076-69-0.
What is the molecular formula of 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid?
The molecular formula of 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid is C11H11NO4.
What is the molecular weight of 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid?
The molecular weight of 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid is 221.07 g/mol.
Where can I buy 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid?
You can request a quote for 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-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-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.