2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid
TL;DR: 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid (CAS 863668-08-0) 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-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid
Also Known As: 2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid, (4-oxo-3,4-dihydro-1,5-benzoxazepin-5(2H)-yl)acetic acid, 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid, (4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid, 2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)aceticacid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.8867 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 429.74768 |
Chemical Identifiers
| CAS Number | 863668-08-0 |
|---|---|
| SMILES | C1COC2=CC=CC=C2N(C1=O)CC(=O)O |
Product Overview
2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid (CAS 863668-08-0), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid.
Chemical Property Profile of 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid
Property Insights of 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid
The XLogP value of 0.8867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid. Following Lipinski's Rule of Five, 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic 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-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid?
The CAS number of 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid is 863668-08-0.
What is the molecular formula of 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid?
The molecular formula of 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid is C11H11NO4.
What is the molecular weight of 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid?
The molecular weight of 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid is 221.07 g/mol.
Where can I buy 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid?
You can request a quote for 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.