![methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate structure](/static/products/4452/445286-76-0.webp)
methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
TL;DR: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate (CAS 445286-76-0) is a chemical compound with molecular formula C23H16N2O5S and molecular weight 432.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate, methyl 3-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate, methyl 3-({[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)thiophene-2-carboxylate, METHYL 3-[2-(2H-1,3-BENZODIOXOL-5-YL)QUINOLINE-4-AMIDO]THIOPHENE-2-CARBOXYLATE, methyl 3-[(2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-4-quinolyl)carbonylamino]thiop hene-2-carboxylate
| Molecular Formula | C23H16N2O5S |
|---|---|
| Molecular Weight | 432.08 g/mol |
| LogP | 4.7309 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.078 |
| Heavy Atoms | 31 |
| Complexity | 1330.8035 |
Chemical Identifiers
| CAS Number | 445286-76-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5 |
Product Overview
methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate (CAS 445286-76-0), with molecular formula C23H16N2O5S and molecular weight 432.08 g/mol. IUPAC: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
Property Insights of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
The XLogP value of 4.7309 indicates that methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-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 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The CAS number of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate is 445286-76-0.
What is the molecular formula of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The molecular formula of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate is C23H16N2O5S.
What is the molecular weight of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
The molecular weight of methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate is 432.08 g/mol.
Where can I buy methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
You can request a quote for methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.