RefChem:1097863
TL;DR: RefChem:1097863 (CAS 80221-57-4) is a chemical compound with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;6-methoxy-4-[2-[(3R,4S)-3-methylpiperidin-4-yl]ethyl]quinoline
Also Known As: trans-(+-)-6-Methoxy-4-(2-(3-methyl-4-piperidinyl)ethyl)quinoline, Quinoline, 6-methoxy-4-(2-(3-methyl-4-piperidinyl)ethyl)-, trans-(+-)-, (E)-2-butenedioate, trans-(+-)-6-Methoxy-4-(2-(3-methyl-4-piperidyl)ethyl)quinoline fumarate, 6-Methoxy-4-{2-[(3R,4S)-3-methyl-4-piperidinyl]ethyl}quinoline (2E)-2-butenedioate, (E)-but-2-enedioic acid; 6-methoxy-4-[2-[(3R,4S)-3-methylpiperidin-4-yl]ethyl]quinoline
| Molecular Formula | C22H28N2O5 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 3.1334 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.19983 |
| Heavy Atoms | 29 |
| Complexity | 849.4015 |
Chemical Identifiers
| CAS Number | 80221-57-4 |
|---|---|
| SMILES | C[C@H]1CNCC[C@@H]1CCC2=C3C=C(C=CC3=NC=C2)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097863 (CAS 80221-57-4), with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol. IUPAC: (E)-but-2-enedioic acid;6-methoxy-4-[2-[(3R,4S)-3-methylpiperidin-4-yl]ethyl]quinoline.
Chemical Property Profile of RefChem:1097863
Property Insights of RefChem:1097863
The XLogP value of 3.1334 indicates that RefChem:1097863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097863. Following Lipinski's Rule of Five, RefChem:1097863 has 3 hydrogen bond donor(s) and 5 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:1097863?
The CAS number of RefChem:1097863 is 80221-57-4.
What is the molecular formula of RefChem:1097863?
The molecular formula of RefChem:1097863 is C22H28N2O5.
What is the molecular weight of RefChem:1097863?
The molecular weight of RefChem:1097863 is 400.20 g/mol.
Where can I buy RefChem:1097863?
You can request a quote for RefChem:1097863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.