Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate
TL;DR: Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate (CAS 1024207-68-8) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate
Also Known As: AN-329/43336762, ethyl 2-benzyl-6-hydroxyoctahydro-8a(1H)-isoquinolinecarboxylate, Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate, ethyl 2-benzyl-6-hydroxydecahydroisoquinoline-8a-carboxylate, ethyl 2-benzyl-6-hydroxyoctahydroisoquinoline-8a(1H)-carboxylate
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.20 g/mol |
| LogP | 2.6028 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 532.6761 |
Chemical Identifiers
| CAS Number | 1024207-68-8 |
|---|---|
| SMILES | CCOC(=O)C12CCC(CC1CCN(C2)CC3=CC=CC=C3)O |
Product Overview
Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate (CAS 1024207-68-8), with molecular formula C19H27NO3 and molecular weight 317.20 g/mol. IUPAC: ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate.
Chemical Property Profile of Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate
Property Insights of Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate
The XLogP value of 2.6028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate. With a topological polar surface area (TPSA) of 49.77 Ų, Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate has 1 hydrogen bond donor(s) and 4 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 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate?
The CAS number of Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate is 1024207-68-8.
What is the molecular formula of Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate?
The molecular formula of Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate is C19H27NO3.
What is the molecular weight of Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate?
The molecular weight of Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate is 317.20 g/mol.
Where can I buy Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate?
You can request a quote for Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzyl-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.