![propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4382/438215-96-4.webp)
propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438215-96-4) is a chemical compound with molecular formula C31H31BrN2O3S and molecular weight 590.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-(6-bromo-2-(m-tolyl)quinoline-4-carboxamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propyl 2-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 2-{[6-bromo-2-(3-methylphenyl)(4-quinolyl)]carbonylamino}-6-ethyl-4,5,6 ,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C31H31BrN2O3S |
|---|---|
| Molecular Weight | 590.12 g/mol |
| LogP | 8.36822 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.1239 |
| Heavy Atoms | 38 |
| Complexity | 1527.3357 |
Chemical Identifiers
| CAS Number | 438215-96-4 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)CC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC(=C5)C |
Product Overview
propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438215-96-4), with molecular formula C31H31BrN2O3S and molecular weight 590.12 g/mol. IUPAC: propyl 2-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 8.36822 indicates that propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-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 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 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 propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438215-96-4.
What is the molecular formula of propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C31H31BrN2O3S.
What is the molecular weight of propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 590.12 g/mol.
Where can I buy propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-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 propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.