6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one
TL;DR: 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one (CAS 342608-64-4) is a chemical compound with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-1-yl)-6-chlorochromen-4-one
Also Known As: 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one, BIM-0033018.P001, BRD-A17321097-001-01-0, 3-(4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-1-yl)-6-chlorochromen-4-one, 4H-1-benzopyran-4-one, 6-chloro-3-(decahydro-4a-hydroxy-1-isoquinolinyl)-
| Molecular Formula | C18H20ClNO3 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.4021 |
| Topological Polar Surface Area | 62.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.11316 |
| Heavy Atoms | 23 |
| Complexity | 798.44354 |
Chemical Identifiers
| CAS Number | 342608-64-4 |
|---|---|
| SMILES | C1CCC2(CCNC(C2C1)C3=COC4=C(C3=O)C=C(C=C4)Cl)O |
Product Overview
6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one (CAS 342608-64-4), with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol. IUPAC: 3-(4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-1-yl)-6-chlorochromen-4-one.
Chemical Property Profile of 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one
Property Insights of 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one
The XLogP value of 3.4021 indicates that 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one 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 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one?
The CAS number of 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one is 342608-64-4.
What is the molecular formula of 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one?
The molecular formula of 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one is C18H20ClNO3.
What is the molecular weight of 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one?
The molecular weight of 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one is 333.11 g/mol.
Where can I buy 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one?
You can request a quote for 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-(4a-hydroxydecahydroisoquinolin-1-yl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.