(1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
TL;DR: (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone (CAS 1005103-94-5) is a chemical compound with molecular formula C22H27NO3S and molecular weight 385.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-thiophen-2-ylmethanone
Also Known As: (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone, [1-(2-Ethoxy-phenyl)-4a-hydroxy-octahydro-isoquinolin-2-yl]-thiophen-2-yl-methanone, [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](thiophen-2-yl)methanone, [1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-thiophen-2-ylmethanone
| Molecular Formula | C22H27NO3S |
|---|---|
| Molecular Weight | 385.17 g/mol |
| LogP | 4.6553 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.17117 |
| Heavy Atoms | 27 |
| Complexity | 790.6154 |
Chemical Identifiers
| CAS Number | 1005103-94-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C3CCCCC3(CCN2C(=O)C4=CC=CS4)O |
Product Overview
(1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone (CAS 1005103-94-5), with molecular formula C22H27NO3S and molecular weight 385.17 g/mol. IUPAC: [1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
Property Insights of (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
The XLogP value of 4.6553 indicates that (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone 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 (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
The CAS number of (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone is 1005103-94-5.
What is the molecular formula of (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
The molecular formula of (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone is C22H27NO3S.
What is the molecular weight of (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
The molecular weight of (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone is 385.17 g/mol.
Where can I buy (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
You can request a quote for (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.