![6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid structure](/static/products/1276/127654-02-8.webp)
6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
TL;DR: 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid (CAS 127654-02-8) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Also Known As: KF 13218, (E)-6-(5,6-Dihydro-6-methyl-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)hexanoic acid
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 127654-02-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=CCCCCC(=O)O)C3=C(C1=O)C=CN=C3 |
| InChIKey | QFZVHDITZGTVJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid (CAS 127654-02-8), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: 6-(6-methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid.
Chemical Property Profile of 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Property Insights of 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid. Following Lipinski's Rule of Five, 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid 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 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid?
The CAS number of 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid is 127654-02-8.
What is the molecular formula of 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid?
The molecular formula of 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid is C20H20N2O3.
What is the molecular weight of 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid?
The molecular weight of 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid is 336.15 g/mol.
Where can I buy 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid?
You can request a quote for 6-(6-Methyl-5-oxopyrido[4,3-c][1]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-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(6-Methyl-5-oxopyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.