Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
TL;DR: Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 41958-57-0) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Also Known As: 5-20-08-00151 (Beilstein Handbook Reference), trans-Ethyl 3-methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-3-methyl-4-phenyl-, ethyl ester, (E)-, Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate, ethyl 3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
| Molecular Formula | C19H21NO2 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.15723 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 41958-57-0 |
|---|---|
| SMILES | CCOC(=O)N1CC2=CC=CC=C2C(C1C)C3=CC=CC=C3 |
| InChIKey | LBDNFNIZWIELCP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 41958-57-0), with molecular formula C19H21NO2 and molecular weight 295.16 g/mol. IUPAC: ethyl 3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
Property Insights of Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
The XLogP value of 3.9 indicates that Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate 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-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The CAS number of Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate is 41958-57-0.
What is the molecular formula of Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular formula of Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate is C19H21NO2.
What is the molecular weight of Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular weight of Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate is 295.16 g/mol.
Where can I buy Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate?
You can request a quote for Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-4-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.