![propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5494/549475-12-9.webp)
propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 549475-12-9) is a chemical compound with molecular formula C30H30N2O4S and molecular weight 514.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-({[2-(4-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methylethyl 2-{[2-(4-ethoxyphenyl)-4-quinolyl]carbonylamino}-4,5,6,7-tetrahydr obenzo[b]thiophene-3-carboxylate, propan-2-yl 2-({[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C30H30N2O4S |
|---|---|
| Molecular Weight | 514.19 g/mol |
| LogP | 7.0583 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.1926 |
| Heavy Atoms | 37 |
| Complexity | 1456.7205 |
Chemical Identifiers
| CAS Number | 549475-12-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C |
Product Overview
propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 549475-12-9), with molecular formula C30H30N2O4S and molecular weight 514.19 g/mol. IUPAC: propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 7.0583 indicates that propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]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 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 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 propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 549475-12-9.
What is the molecular formula of propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C30H30N2O4S.
What is the molecular weight of propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 514.19 g/mol.
Where can I buy propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]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 propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.