Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester
TL;DR: Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester (CAS 66089-39-2) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-dihydrobenzo[f]isoquinoline-1-carboxylate
Also Known As: 4-Carbethoxy-1,2-dihydro benz(f)isoquinoline, Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester, ethyl 3,4-dihydrobenzo[f]isoquinoline-1-carboxylate
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 66089-39-2 |
|---|---|
| SMILES | CCOC(=O)C1=CNCC2=C1C3=CC=CC=C3C=C2 |
| InChIKey | SOWZZBDGFGCPJE-UHFFFAOYSA-N |
Product Overview
Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester (CAS 66089-39-2), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: ethyl 3,4-dihydrobenzo[f]isoquinoline-1-carboxylate.
Chemical Property Profile of Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester
Property Insights of Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester
The XLogP value of 3.2 indicates that Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester?
The CAS number of Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester is 66089-39-2.
What is the molecular formula of Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester?
The molecular formula of Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester is C16H15NO2.
What is the molecular weight of Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester?
The molecular weight of Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester is 253.11 g/mol.
Where can I buy Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester?
You can request a quote for Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benz(f)isoquinoline-1-carboxylic acid, 3,4-dihydro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.