methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate
TL;DR: methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate (CAS 956808-33-6) is a chemical compound with molecular formula C19H27NO4 and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate
Also Known As: methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate, methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate
| Molecular Formula | C19H27NO4 |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | 3.5198 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.194 |
| Heavy Atoms | 24 |
| Complexity | 590.48444 |
Chemical Identifiers
| CAS Number | 956808-33-6 |
|---|---|
| SMILES | CCOC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)OC)O |
Product Overview
methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate (CAS 956808-33-6), with molecular formula C19H27NO4 and molecular weight 333.19 g/mol. IUPAC: methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate.
Chemical Property Profile of methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate
Property Insights of methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate
The XLogP value of 3.5198 indicates that methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-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 methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate?
The CAS number of methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate is 956808-33-6.
What is the molecular formula of methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate?
The molecular formula of methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate is C19H27NO4.
What is the molecular weight of methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate?
The molecular weight of methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate is 333.19 g/mol.
Where can I buy methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate?
You can request a quote for methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-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 methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.