Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate
TL;DR: Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS 59325-13-2) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: ethyl 1,2,3,4-tetrahydroisoquinoline-2-carboxylate, 2-Ethoxycarbonyl-1,2,3,4-tetrahydroisoquinoline, Ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate, J1.003.406J, Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.2012 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 362.39468 |
Chemical Identifiers
| CAS Number | 59325-13-2 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=CC=CC=C2C1 |
Product Overview
Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate (CAS 59325-13-2), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate
Property Insights of Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate
The XLogP value of 2.2012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate has 0 hydrogen bond donor(s) and 2 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 Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate?
The CAS number of Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate is 59325-13-2.
What is the molecular formula of Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate?
The molecular formula of Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate is C12H15NO2.
What is the molecular weight of Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate?
The molecular weight of Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate is 205.11 g/mol.
Where can I buy Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate?
You can request a quote for Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.