![propan-2-yl 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/4382/438217-09-5.webp)
propan-2-yl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propan-2-yl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438217-09-5) 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.
propan-2-yl 2-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propan-2-yl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(6-bromo-2-(m-tolyl)quinoline-4-carboxamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-{[6-bromo-2-(3-methylphenyl)(4-quinolyl)]carbonylamino}-6-ethyl- 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C31H31BrN2O3S |
|---|---|
| Molecular Weight | 590.12 g/mol |
| LogP | 8.36662 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 590.1239 |
| Heavy Atoms | 38 |
| Complexity | 1541.9121 |
Chemical Identifiers
| CAS Number | 438217-09-5 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC(=C5)C |
Product Overview
propan-2-yl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438217-09-5), with molecular formula C31H31BrN2O3S and molecular weight 590.12 g/mol. IUPAC: propan-2-yl 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 propan-2-yl 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 propan-2-yl 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 8.36662 indicates that propan-2-yl 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 propan-2-yl 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, propan-2-yl 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 propan-2-yl 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 propan-2-yl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438217-09-5.
What is the molecular formula of propan-2-yl 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 propan-2-yl 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 propan-2-yl 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 propan-2-yl 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 propan-2-yl 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 propan-2-yl 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 propan-2-yl 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 propan-2-yl 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.