![2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide structure](/static/products/4386/438613-24-2.webp)
2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
TL;DR: 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide (CAS 438613-24-2) is a chemical compound with molecular formula C27H21ClN4OS2 and molecular weight 516.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
Also Known As: 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide, N-{[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)thiourea, N-{[2-(4-CHLOROPHENYL)-4-QUINOLYL]CARBONYL}-N'-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)THIOUREA
| Molecular Formula | C27H21ClN4OS2 |
|---|---|
| Molecular Weight | 516.08 g/mol |
| LogP | 6.88408 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.08453 |
| Heavy Atoms | 35 |
| Complexity | 1487.8363 |
Chemical Identifiers
| CAS Number | 438613-24-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl |
Product Overview
2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide (CAS 438613-24-2), with molecular formula C27H21ClN4OS2 and molecular weight 516.08 g/mol. IUPAC: 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide.
Chemical Property Profile of 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
Property Insights of 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
The XLogP value of 6.88408 indicates that 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide has 2 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 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide?
The CAS number of 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide is 438613-24-2.
What is the molecular formula of 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide?
The molecular formula of 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide is C27H21ClN4OS2.
What is the molecular weight of 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide?
The molecular weight of 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide is 516.08 g/mol.
Where can I buy 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide?
You can request a quote for 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]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-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.