RefChem:1086625
TL;DR: RefChem:1086625 (CAS 127654-13-1) 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.
(6E)-6-(5-oxo-6H-pyrido[3,4-c][1]benzazepin-11-ylidene)hexanoic acid
Also Known As: 5H-Pyrido(3,4-c)(1)benzazepine, hexanoic acid deriv., (E)-5-(5-Carboxypentylidene)-5,11-dihydropyrido(3,4-c)(1)benzazepin-11(10H)-one, Hexanoic acid, 6-(10,11-dihydro-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-, (E)-6-(10,11-Dihydro-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)hexanoic acid, 5H-Pyrido(3,4-c)(1)benzazepine, hexanoic acid deriv
| 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 | 127654-13-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/CCCCC(=O)O)/C3=C(C=NC=C3)C(=O)N2 |
Product Overview
RefChem:1086625 (CAS 127654-13-1), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: (6E)-6-(5-oxo-6H-pyrido[3,4-c][1]benzazepin-11-ylidene)hexanoic acid.
Chemical Property Profile of RefChem:1086625
Property Insights of RefChem:1086625
The XLogP value of 3.724 indicates that RefChem:1086625 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 RefChem:1086625. Following Lipinski's Rule of Five, RefChem:1086625 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 RefChem:1086625?
The CAS number of RefChem:1086625 is 127654-13-1.
What is the molecular formula of RefChem:1086625?
The molecular formula of RefChem:1086625 is C19H18N2O3.
What is the molecular weight of RefChem:1086625?
The molecular weight of RefChem:1086625 is 322.13 g/mol.
Where can I buy RefChem:1086625?
You can request a quote for RefChem:1086625 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086625?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.