![methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4381/438196-22-6.webp)
methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438196-22-6) is a chemical compound with molecular formula C31H31N3O4S2 and molecular weight 573.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-(2-(3-isobutoxyphenyl)quinoline-4-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-{[({[2-(3-ISOBUTOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C31H31N3O4S2 |
|---|---|
| Molecular Weight | 573.18 g/mol |
| LogP | 6.7903 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 573.1756 |
| Heavy Atoms | 40 |
| Complexity | 1595.001 |
Chemical Identifiers
| CAS Number | 438196-22-6 |
|---|---|
| SMILES | CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCC5)C(=O)OC |
Product Overview
methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438196-22-6), with molecular formula C31H31N3O4S2 and molecular weight 573.18 g/mol. IUPAC: methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.7903 indicates that methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-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 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438196-22-6.
What is the molecular formula of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C31H31N3O4S2.
What is the molecular weight of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 573.18 g/mol.
Where can I buy methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-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 methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.