![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate structure](/static/products/3912/391264-12-3.webp)
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate
TL;DR: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate (CAS 391264-12-3) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate
Also Known As: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate, 2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl thiophene-2-carboxylate
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.4898 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 651.3015 |
Chemical Identifiers
| CAS Number | 391264-12-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CS3 |
Product Overview
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate (CAS 391264-12-3), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate.
Chemical Property Profile of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate
Property Insights of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate
The XLogP value of 2.4898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate?
The CAS number of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate is 391264-12-3.
What is the molecular formula of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate?
The molecular formula of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate is C16H15NO3S.
What is the molecular weight of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate?
The molecular weight of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate is 301.08 g/mol.
Where can I buy [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate?
You can request a quote for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 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 [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.