Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
TL;DR: Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate (CAS 950580-38-8) 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 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Also Known As: ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate, TimTec1_004574, 1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid ethyl ester, 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, BAS 02785782
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.4365 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 362.39468 |
Chemical Identifiers
| CAS Number | 950580-38-8 |
|---|---|
| SMILES | CCOC(=O)C1C2=CC=CC=C2CCN1 |
Product Overview
Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate (CAS 950580-38-8), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate.
Chemical Property Profile of Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Property Insights of Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
The XLogP value of 1.4365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate 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 Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The CAS number of Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate is 950580-38-8.
What is the molecular formula of Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The molecular formula of Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate is C12H15NO2.
What is the molecular weight of Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The molecular weight of Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate is 205.11 g/mol.
Where can I buy Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
You can request a quote for Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.