Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
TL;DR: Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- (CAS 127653-92-3) is a chemical compound with molecular formula C22H24N2O2S and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-8-(5-methylsulfanylpyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid
Also Known As: 8-(5-(Methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid, Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, (8E)-8-(5-methylsulfanylpyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid, 11-(4-Carboxybutylidene)-5,11-dihydropyrido[4,3-c][1]-benzazepin-5(6H)-one, RefChem:1093815
| Molecular Formula | C22H24N2O2S |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 5.6932 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.15585 |
| Heavy Atoms | 27 |
| Complexity | 874.1214 |
Chemical Identifiers
| CAS Number | 127653-92-3 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2/C(=C\CCCCCCC(=O)O)/C3=C1C=CN=C3 |
Product Overview
Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- (CAS 127653-92-3), with molecular formula C22H24N2O2S and molecular weight 380.16 g/mol. IUPAC: (8E)-8-(5-methylsulfanylpyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid.
Chemical Property Profile of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
Property Insights of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
The XLogP value of 5.6932 indicates that Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-. Following Lipinski's Rule of Five, Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
The CAS number of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- is 127653-92-3.
What is the molecular formula of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
The molecular formula of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- is C22H24N2O2S.
What is the molecular weight of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
The molecular weight of Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- is 380.16 g/mol.
Where can I buy Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
You can request a quote for Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.