![methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/3549/354996-19-3.webp)
methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 354996-19-3) is a chemical compound with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-tert-butyl-2-({[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-tert-butyl-2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 6-(TERT-BUTYL)-2-({[2-(5-METHYL-2-FURYL)-4-QUINOLYL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 6-(tert-butyl)-2-(2-(5-methylfuran-2-yl)quinoline-4-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C29H30N2O4S |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 7.05462 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.19263 |
| Heavy Atoms | 36 |
| Complexity | 1474.4397 |
Chemical Identifiers
| CAS Number | 354996-19-3 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC |
Product Overview
methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 354996-19-3), with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol. IUPAC: methyl 6-tert-butyl-2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 7.05462 indicates that methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]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 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]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 methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 354996-19-3.
What is the molecular formula of methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C29H30N2O4S.
What is the molecular weight of methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 502.19 g/mol.
Where can I buy methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]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 methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-tert-butyl-2-({[2-(5-methyl-2-furyl)-4-quinolinyl]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.