RefChem:1086630
TL;DR: RefChem:1086630 (CAS 127653-96-7) 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[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
Also Known As: Hexanoic acid, 6-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, (E)-, (E)-11-(5-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one, (E)-6-(5,6-Dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)hexanoic acid, (6E)-6-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid, RefChem:1086630
| 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 | 127653-96-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C\CCCCC(=O)O)/C3=C(C=CN=C3)C(=O)N2 |
Product Overview
RefChem:1086630 (CAS 127653-96-7), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: (6E)-6-(5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid.
Chemical Property Profile of RefChem:1086630
Property Insights of RefChem:1086630
The XLogP value of 3.724 indicates that RefChem:1086630 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:1086630. Following Lipinski's Rule of Five, RefChem:1086630 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:1086630?
The CAS number of RefChem:1086630 is 127653-96-7.
What is the molecular formula of RefChem:1086630?
The molecular formula of RefChem:1086630 is C19H18N2O3.
What is the molecular weight of RefChem:1086630?
The molecular weight of RefChem:1086630 is 322.13 g/mol.
Where can I buy RefChem:1086630?
You can request a quote for RefChem:1086630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086630?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.