![6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid structure](/static/products/1276/127654-08-4.webp)
6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid
TL;DR: 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid (CAS 127654-08-4) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid
Also Known As: (Z)-11-(5-Carboxypentylidene)-6,11-dihydropyrido(4,3-c)(2)benzazepin-6(5H)-one
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.724 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 811.7641 |
Chemical Identifiers
| CAS Number | 127654-08-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CCCCCC(=O)O)C3=C(C=CN=C3)NC2=O |
Product Overview
6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid (CAS 127654-08-4), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid.
Chemical Property Profile of 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid
Property Insights of 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid
The XLogP value of 3.724 indicates that 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid. Following Lipinski's Rule of Five, 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid has 2 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 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid?
The CAS number of 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid is 127654-08-4.
What is the molecular formula of 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid?
The molecular formula of 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid is C19H18N2O3.
What is the molecular weight of 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid?
The molecular weight of 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid is 322.13 g/mol.
Where can I buy 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid?
You can request a quote for 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.