2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid
TL;DR: 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid (CAS 17639-47-3) 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.
8-hydroxy-4-oxo-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylic acid
Also Known As: 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid, 8-hydroxy-4-oxo-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylic acid, 8-Hydroxy-4-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine-2-carboxylic acid, 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-hydroxy-4-oxo-, 8-Hydroxy-4-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine-2-carboxylic acid #
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 17639-47-3 |
|---|---|
| SMILES | C1C(NC(=O)CC2=C1C=C(C=C2)O)C(=O)O |
| InChIKey | KBRQSCACMYCTHY-UHFFFAOYSA-N |
Product Overview
2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid (CAS 17639-47-3), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 8-hydroxy-4-oxo-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylic acid.
Chemical Property Profile of 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid
Property Insights of 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid. Following Lipinski's Rule of Five, 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid has 3 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 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid?
The CAS number of 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid is 17639-47-3.
What is the molecular formula of 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid?
The molecular formula of 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid is C11H11NO4.
What is the molecular weight of 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid?
The molecular weight of 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid is 221.07 g/mol.
Where can I buy 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid?
You can request a quote for 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-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 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrahydro-8-hydroxy-4-oxo-1H-3-benzazepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.