![methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate structure](/static/products/4382/438211-54-2.webp)
methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate
TL;DR: methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate (CAS 438211-54-2) is a chemical compound with molecular formula C35H32N2O5S and molecular weight 592.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-methoxy-2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
Also Known As: methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate, methyl 7-methoxy-2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate, methyl 2-(2-(3-isobutoxyphenyl)quinoline-4-carboxamido)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate, methyl 7-methoxy-2-({2-[3-(2-methylpropoxy)phenyl](4-quinolyl)}carbonylamino)- 4,5-dihydrobenzo[e]benzo[b]thiophenecarboxylate, methyl 7-methoxy-2-[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)amino]-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate
| Molecular Formula | C35H32N2O5S |
|---|---|
| Molecular Weight | 592.20 g/mol |
| LogP | 7.8112 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 592.2032 |
| Heavy Atoms | 43 |
| Complexity | 1859.1473 |
Chemical Identifiers
| CAS Number | 438211-54-2 |
|---|---|
| SMILES | CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCC6=C5C=CC(=C6)OC)C(=O)OC |
Product Overview
methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate (CAS 438211-54-2), with molecular formula C35H32N2O5S and molecular weight 592.20 g/mol. IUPAC: methyl 7-methoxy-2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate.
Chemical Property Profile of methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate
Property Insights of methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate
The XLogP value of 7.8112 indicates that methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate has 1 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-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate?
The CAS number of methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate is 438211-54-2.
What is the molecular formula of methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate?
The molecular formula of methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate is C35H32N2O5S.
What is the molecular weight of methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate?
The molecular weight of methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate is 592.20 g/mol.
Where can I buy methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate?
You can request a quote for methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-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-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-7-methoxy-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.