![1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one structure](/static/products/100/1005107-49-2.png)
1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
TL;DR: 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CAS 1005107-49-2) is a chemical compound with molecular formula C32H37NO5 and molecular weight 515.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Also Known As: 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one, 1-{[1-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-3-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
| Molecular Formula | C32H37NO5 |
|---|---|
| Molecular Weight | 515.27 g/mol |
| LogP | 5.64242 |
| Topological Polar Surface Area | 79.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.26715 |
| Heavy Atoms | 38 |
| Complexity | 1412.8574 |
Chemical Identifiers
| CAS Number | 1005107-49-2 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(C)C(=O)N4CCC5(CCCCC5C4C6=CC=CC=C6)O |
Product Overview
1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CAS 1005107-49-2), with molecular formula C32H37NO5 and molecular weight 515.27 g/mol. IUPAC: 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
Chemical Property Profile of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Property Insights of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
The XLogP value of 5.64242 indicates that 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one. Following Lipinski's Rule of Five, 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The CAS number of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is 1005107-49-2.
What is the molecular formula of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The molecular formula of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is C32H37NO5.
What is the molecular weight of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The molecular weight of 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is 515.27 g/mol.
Where can I buy 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
You can request a quote for 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.