N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
TL;DR: N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide (CAS 438466-01-4) is a chemical compound with molecular formula C22H15ClN2O3S and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(5-CHLOROTHIOPHEN-2-YL)QUINOLINE-4-CARBOXAMIDE, RefChem:359814
| Molecular Formula | C22H15ClN2O3S |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 5.2754 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0492 |
| Heavy Atoms | 29 |
| Complexity | 1237.9448 |
Chemical Identifiers
| CAS Number | 438466-01-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl |
Product Overview
N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide (CAS 438466-01-4), with molecular formula C22H15ClN2O3S and molecular weight 422.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide.
Chemical Property Profile of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
Property Insights of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide
The XLogP value of 5.2754 indicates that N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide 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 N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide. Following Lipinski's Rule of Five, N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide?
The CAS number of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide is 438466-01-4.
What is the molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide?
The molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide is C22H15ClN2O3S.
What is the molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide?
The molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide is 422.05 g/mol.
Where can I buy N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide?
You can request a quote for N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzodioxol-5-ylmethyl)-2-(5-chloro-2-thienyl)-4-quinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.