ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
TL;DR: ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 41234-43-9) 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 (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Also Known As: H-Tic-OEt, ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate, (S)-Ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate, BAS 02976447, J1.622.149J
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.264 |
| 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 | 41234-43-9 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1CC2=CC=CC=C2CN1 |
Product Overview
ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 41234-43-9), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate.
Chemical Property Profile of ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Property Insights of ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
The XLogP value of 1.264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-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 (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The CAS number of ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 41234-43-9.
What is the molecular formula of ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular formula of ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is C12H15NO2.
What is the molecular weight of ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular weight of ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 205.11 g/mol.
Where can I buy ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
You can request a quote for ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.