![2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide structure](/static/products/4381/438199-20-3.webp)
2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide
TL;DR: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide (CAS 438199-20-3) is a chemical compound with molecular formula C30H21N3O4S and molecular weight 519.13 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-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide
Also Known As: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide, (2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(4-quinolyl))-N-[3-cyano-4-(4-methoxyphen yl)-5-methyl(2-thienyl)]carboxamide, 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]-4-quinolinecarboxamide
| Molecular Formula | C30H21N3O4S |
|---|---|
| Molecular Weight | 519.13 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 93.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1253 |
| Heavy Atoms | 38 |
| Complexity | 1752.7006 |
Chemical Identifiers
| CAS Number | 438199-20-3 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=CC=C(C=C6)OC |
Product Overview
2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide (CAS 438199-20-3), with molecular formula C30H21N3O4S and molecular weight 519.13 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide
Property Insights of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide
The XLogP value of 6.8 indicates that 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide?
The CAS number of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide is 438199-20-3.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide is C30H21N3O4S.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide is 519.13 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]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-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.