2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid
TL;DR: 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid (CAS 131607-93-7) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
Also Known As: ChemDiv3_015547, 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid, 1H-1-Benzazepine-1-acetic acid, 2,3,4,5-tetrahydro-2-oxo-, (2-Oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid, 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.4405 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 428.02698 |
Chemical Identifiers
| CAS Number | 131607-93-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C(=O)C1)CC(=O)O |
Product Overview
2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid (CAS 131607-93-7), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid.
Chemical Property Profile of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid
Property Insights of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid
The XLogP value of 1.4405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid has 1 hydrogen bond donor(s) and 2 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-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid?
The CAS number of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid is 131607-93-7.
What is the molecular formula of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid?
The molecular formula of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid is C12H13NO3.
What is the molecular weight of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid?
The molecular weight of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid is 219.09 g/mol.
Where can I buy 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid?
You can request a quote for 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-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-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.