![9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one structure](/static/products/100/1005271-90-8.png)
9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
TL;DR: 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CAS 1005271-90-8) is a chemical compound with molecular formula C31H35NO5 and molecular weight 501.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Also Known As: 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one, 9-{[1-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
| Molecular Formula | C31H35NO5 |
|---|---|
| Molecular Weight | 501.25 g/mol |
| LogP | 5.25232 |
| Topological Polar Surface Area | 79.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.25153 |
| Heavy Atoms | 37 |
| Complexity | 1396.214 |
Chemical Identifiers
| CAS Number | 1005271-90-8 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(C)C(=O)N4CCC5(CCCCC5C4C6=CC=CC=C6)O |
Product Overview
9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CAS 1005271-90-8), with molecular formula C31H35NO5 and molecular weight 501.25 g/mol. IUPAC: 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
Chemical Property Profile of 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Property Insights of 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
The XLogP value of 5.25232 indicates that 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-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 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one. Following Lipinski's Rule of Five, 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-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 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The CAS number of 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is 1005271-90-8.
What is the molecular formula of 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The molecular formula of 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is C31H35NO5.
What is the molecular weight of 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The molecular weight of 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is 501.25 g/mol.
Where can I buy 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
You can request a quote for 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]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 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-[1-(4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.