Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
TL;DR: Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- (CAS 127653-91-2) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-8-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid
Also Known As: 8-(5,6-Dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid, Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, 11-(7-Carboxyheptylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one monohydrate, (8E)-8-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid, 11-(4-Carboxybutylidene)-5,11-dihydropyrido[4,3-c][1]-benzazepin-5(6H)-one
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 4.5042 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 842.6548 |
Chemical Identifiers
| CAS Number | 127653-91-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C\CCCCCCC(=O)O)/C3=C(C=CN=C3)C(=O)N2 |
Product Overview
Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- (CAS 127653-91-2), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: (8E)-8-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)octanoic acid.
Chemical Property Profile of Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
Property Insights of Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
The XLogP value of 4.5042 indicates that Octanoic acid, 8-(5,6-dihydro-5-oxo-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 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-. Following Lipinski's Rule of Five, Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- 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 Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
The CAS number of Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- is 127653-91-2.
What is the molecular formula of Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
The molecular formula of Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- is C21H22N2O3.
What is the molecular weight of Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
The molecular weight of Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- is 350.16 g/mol.
Where can I buy Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
You can request a quote for Octanoic acid, 8-(5,6-dihydro-5-oxo-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-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.