N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
TL;DR: N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide (CAS 353782-94-2) is a chemical compound with molecular formula C32H33N3O3S and molecular weight 539.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
Also Known As: N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide, N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide, [2-(2,4-dimethoxyphenyl)(4-quinolyl)]-N-[6-(1,1-dimethylpropyl)-3-cyano(4,5,6, 7-tetrahydrobenzo[b]thiophen-2-yl)]carboxamide
| Molecular Formula | C32H33N3O3S |
|---|---|
| Molecular Weight | 539.22 g/mol |
| LogP | 7.64558 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.22424 |
| Heavy Atoms | 39 |
| Complexity | 1598.4901 |
Chemical Identifiers
| CAS Number | 353782-94-2 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)OC)OC |
Product Overview
N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide (CAS 353782-94-2), with molecular formula C32H33N3O3S and molecular weight 539.22 g/mol. IUPAC: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide.
Chemical Property Profile of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
Property Insights of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
The XLogP value of 7.64558 indicates that N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide. Following Lipinski's Rule of Five, N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide?
The CAS number of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide is 353782-94-2.
What is the molecular formula of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide?
The molecular formula of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide is C32H33N3O3S.
What is the molecular weight of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide?
The molecular weight of N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide is 539.22 g/mol.
Where can I buy N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide?
You can request a quote for N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-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-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.