6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
TL;DR: 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide (CAS 445024-74-8) is a chemical compound with molecular formula C29H26BrN3OS and molecular weight 543.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
Also Known As: 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide, [6-bromo-2-(4-butylphenyl)(4-quinolyl)]-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]t hiophen-2-yl))carboxamide, 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-quinolinecarboxamide
| Molecular Formula | C29H26BrN3OS |
|---|---|
| Molecular Weight | 543.10 g/mol |
| LogP | 8.07118 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.098 |
| Heavy Atoms | 35 |
| Complexity | 1449.8013 |
Chemical Identifiers
| CAS Number | 445024-74-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N |
Product Overview
6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide (CAS 445024-74-8), with molecular formula C29H26BrN3OS and molecular weight 543.10 g/mol. IUPAC: 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide.
Chemical Property Profile of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
Property Insights of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
The XLogP value of 8.07118 indicates that 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide. Following Lipinski's Rule of Five, 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide?
The CAS number of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide is 445024-74-8.
What is the molecular formula of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide?
The molecular formula of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide is C29H26BrN3OS.
What is the molecular weight of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide?
The molecular weight of 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide is 543.10 g/mol.
Where can I buy 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide?
You can request a quote for 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-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 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-2-(4-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.