RefChem:1086622
TL;DR: RefChem:1086622 (CAS 127654-15-3) 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.
(6E)-6-(6-methyl-5-oxopyrido[3,4-c][1]benzazepin-11-ylidene)hexanoic acid
Also Known As: Hexanoic acid, 6-(10,11-dihydro-10-methyl-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-, (E)-5-(5-Carboxypentylidene)-10-methyl-5,11-dihydropyrido(3,4-c)(1)benzazepin-11(10H)-one, (6E)-6-(6-methyl-5-oxopyrido[3,4-c][1]benzazepin-11-ylidene)hexanoic acid, RefChem:1086622
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.7483 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 842.33984 |
Chemical Identifiers
| CAS Number | 127654-15-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2/C(=C/CCCCC(=O)O)/C3=C(C1=O)C=NC=C3 |
Product Overview
RefChem:1086622 (CAS 127654-15-3), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: (6E)-6-(6-methyl-5-oxopyrido[3,4-c][1]benzazepin-11-ylidene)hexanoic acid.
Chemical Property Profile of RefChem:1086622
Property Insights of RefChem:1086622
The XLogP value of 3.7483 indicates that RefChem:1086622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086622. Following Lipinski's Rule of Five, RefChem:1086622 has 1 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:1086622?
The CAS number of RefChem:1086622 is 127654-15-3.
What is the molecular formula of RefChem:1086622?
The molecular formula of RefChem:1086622 is C20H20N2O3.
What is the molecular weight of RefChem:1086622?
The molecular weight of RefChem:1086622 is 336.15 g/mol.
Where can I buy RefChem:1086622?
You can request a quote for RefChem:1086622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086622?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.