2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-
TL;DR: 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- (CAS 23018-38-4) 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.
3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoic acid
Also Known As: 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, 2-Oxo-2H-1,3-benzoxazine-3(4H)-propionic acid, 3-(2-oxo-2h-1,3-benzoxazin-3(4h)-yl)propanoic acid, 3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoic acid, BRN 1125896
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 23018-38-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2OC(=O)N1CCC(=O)O |
| InChIKey | QUEAXSWPSMOYNY-UHFFFAOYSA-N |
Product Overview
2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- (CAS 23018-38-4), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoic acid.
Chemical Property Profile of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-
Property Insights of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-. Following Lipinski's Rule of Five, 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- has 1 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 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-?
The CAS number of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- is 23018-38-4.
What is the molecular formula of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-?
The molecular formula of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- is C11H11NO4.
What is the molecular weight of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-?
The molecular weight of 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- is 221.07 g/mol.
Where can I buy 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-?
You can request a quote for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.