Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate
TL;DR: Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate (CAS 308294-51-1) is a chemical compound with molecular formula C21H15NO2S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isoquinolin-1-yl(phenyl)methyl] thiophene-2-carboxylate
Also Known As: isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate, isoquinolylphenylmethyl thiophene-2-carboxylate, [isoquinolin-1-yl(phenyl)methyl] thiophene-2-carboxylate, F0815-0005
| Molecular Formula | C21H15NO2S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 5.2427 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.08234 |
| Heavy Atoms | 25 |
| Complexity | 991.5375 |
Chemical Identifiers
| CAS Number | 308294-51-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CS4 |
Product Overview
Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate (CAS 308294-51-1), with molecular formula C21H15NO2S and molecular weight 345.08 g/mol. IUPAC: [isoquinolin-1-yl(phenyl)methyl] thiophene-2-carboxylate.
Chemical Property Profile of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate
Property Insights of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate
The XLogP value of 5.2427 indicates that Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate?
The CAS number of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate is 308294-51-1.
What is the molecular formula of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate?
The molecular formula of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate is C21H15NO2S.
What is the molecular weight of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate?
The molecular weight of Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate is 345.08 g/mol.
Where can I buy Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate?
You can request a quote for Isoquinolin-1-yl(phenyl)methyl 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 Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-1-yl(phenyl)methyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.