![N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide structure](/static/products/4381/438196-77-1.webp)
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
TL;DR: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide (CAS 438196-77-1) is a chemical compound with molecular formula C31H30N4O2S2 and molecular weight 554.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Also Known As: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea, N-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-N'-{[2-(3-ISOBUTOXYPHENYL)-4-QUINOLYL]CARBONYL}THIOUREA
| Molecular Formula | C31H30N4O2S2 |
|---|---|
| Molecular Weight | 554.18 g/mol |
| LogP | 7.12138 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.181 |
| Heavy Atoms | 39 |
| Complexity | 1602.1747 |
Chemical Identifiers
| CAS Number | 438196-77-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C |
Product Overview
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide (CAS 438196-77-1), with molecular formula C31H30N4O2S2 and molecular weight 554.18 g/mol. IUPAC: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide.
Chemical Property Profile of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Property Insights of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
The XLogP value of 7.12138 indicates that N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide. Following Lipinski's Rule of Five, N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide has 2 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-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The CAS number of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is 438196-77-1.
What is the molecular formula of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The molecular formula of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is C31H30N4O2S2.
What is the molecular weight of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The molecular weight of N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is 554.18 g/mol.
Where can I buy N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
You can request a quote for N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]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 N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.