![ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4452/445237-51-4.webp)
ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 445237-51-4) is a chemical compound with molecular formula C28H24ClN3O3S2 and molecular weight 549.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(2-(4-chlorophenyl)quinoline-4-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{[({[2-(4-CHLOROPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C28H24ClN3O3S2 |
|---|---|
| Molecular Weight | 549.09 g/mol |
| LogP | 6.799 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 549.0948 |
| Heavy Atoms | 37 |
| Complexity | 1515.3884 |
Chemical Identifiers
| CAS Number | 445237-51-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl |
Product Overview
ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 445237-51-4), with molecular formula C28H24ClN3O3S2 and molecular weight 549.09 g/mol. IUPAC: ethyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.799 indicates that ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 445237-51-4.
What is the molecular formula of ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C28H24ClN3O3S2.
What is the molecular weight of ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 549.09 g/mol.
Where can I buy ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.