2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
TL;DR: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (CAS 353790-31-5) is a chemical compound with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
Also Known As: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide, 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-quinolinecarboxamide, (2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)(4-quinolyl))-N-[2-(3,4-dimethoxyphenyl)e thyl]carboxamide
| Molecular Formula | C27H24N2O5 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 4.6202 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.16852 |
| Heavy Atoms | 34 |
| Complexity | 1368.7382 |
Chemical Identifiers
| CAS Number | 353790-31-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)OC |
Product Overview
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (CAS 353790-31-5), with molecular formula C27H24N2O5 and molecular weight 456.17 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
Property Insights of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
The XLogP value of 4.6202 indicates that 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide has 1 hydrogen bond donor(s) and 6 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 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The CAS number of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is 353790-31-5.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is C27H24N2O5.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is 456.17 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.