2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
TL;DR: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CAS 823832-79-7) is a chemical compound with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
Also Known As: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide, (2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-6-methyl(4-quinolyl))-N-(2-thienylmethyl )carboxamide, 2-(2H-1,3-BENZODIOXOL-5-YL)-6-METHYL-N-[(THIOPHEN-2-YL)METHYL]QUINOLINE-4-CARBOXAMIDE
| Molecular Formula | C23H18N2O3S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 4.93042 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.10382 |
| Heavy Atoms | 29 |
| Complexity | 1218.5104 |
Chemical Identifiers
| CAS Number | 823832-79-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=CS3)C4=CC5=C(C=C4)OCO5 |
Product Overview
2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CAS 823832-79-7), with molecular formula C23H18N2O3S and molecular weight 402.10 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
Property Insights of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
The XLogP value of 4.93042 indicates that 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has 1 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 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The CAS number of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is 823832-79-7.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is C23H18N2O3S.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is 402.10 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)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)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.