A4047/0172585
TL;DR: A4047/0172585 (CAS 1212441-80-9) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aS,8aS)-2-[(4-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Also Known As: A4047/0172585, (1R,4aS,8aS)-2-(4-chlorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)decahydroisoquinolin-4a-ol, (1R,4aS,8aS)-2-[(4-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
| Molecular Formula | C23H28ClNO3 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 4.9225 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.17578 |
| Heavy Atoms | 28 |
| Complexity | 825.09717 |
Chemical Identifiers
| CAS Number | 1212441-80-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC4=CC=C(C=C4)Cl)O)O |
Product Overview
A4047/0172585 (CAS 1212441-80-9), with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol. IUPAC: (1R,4aS,8aS)-2-[(4-chlorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
Chemical Property Profile of A4047/0172585
Property Insights of A4047/0172585
The XLogP value of 4.9225 indicates that A4047/0172585 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.93 Ų, A4047/0172585 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4047/0172585 has 2 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 A4047/0172585?
The CAS number of A4047/0172585 is 1212441-80-9.
What is the molecular formula of A4047/0172585?
The molecular formula of A4047/0172585 is C23H28ClNO3.
What is the molecular weight of A4047/0172585?
The molecular weight of A4047/0172585 is 401.18 g/mol.
Where can I buy A4047/0172585?
You can request a quote for A4047/0172585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4047/0172585?
Yes, KEHONG BIO provides custom synthesis services for A4047/0172585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.