4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-
TL;DR: 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- (CAS 1005035-17-5) is a chemical compound with molecular formula C24H29NO4 and molecular weight 395.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone
Also Known As: 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-, [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl](2-methoxyphenyl)methanone, [4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone
| Molecular Formula | C24H29NO4 |
|---|---|
| Molecular Weight | 395.21 g/mol |
| LogP | 4.2123 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.20966 |
| Heavy Atoms | 29 |
| Complexity | 882.68933 |
Chemical Identifiers
| CAS Number | 1005035-17-5 |
|---|---|
| SMILES | COC1=CC=CC=C1C2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4OC)O |
Product Overview
4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- (CAS 1005035-17-5), with molecular formula C24H29NO4 and molecular weight 395.21 g/mol. IUPAC: [4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone.
Chemical Property Profile of 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-
Property Insights of 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-
The XLogP value of 4.2123 indicates that 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- 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 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-?
The CAS number of 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- is 1005035-17-5.
What is the molecular formula of 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-?
The molecular formula of 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- is C24H29NO4.
What is the molecular weight of 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-?
The molecular weight of 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- is 395.21 g/mol.
Where can I buy 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-?
You can request a quote for 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4a(2H)-Isoquinolinol, octahydro-2-(2-methoxybenzoyl)-1-(2-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.