6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline
TL;DR: 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline (CAS 91853-59-7) is a chemical compound with molecular formula C26H25NO6 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]methanone
Also Known As: 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline, phenyl-[5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxo, phenyl-[5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]methanone, 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline, Methanone,[7,8-dihydro-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolo[4,5-g]isoquinolin-6(5H)-yl]phenyl-
| Molecular Formula | C26H25NO6 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.16818 |
| Heavy Atoms | 33 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 91853-59-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3CCN2C(=O)C5=CC=CC=C5)OCO4 |
| InChIKey | SETZVAWJHKWTRV-UHFFFAOYSA-N |
Product Overview
6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline (CAS 91853-59-7), with molecular formula C26H25NO6 and molecular weight 447.17 g/mol. IUPAC: phenyl-[5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]methanone.
Chemical Property Profile of 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline
Property Insights of 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline
The XLogP value of 4.3 indicates that 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline. Following Lipinski's Rule of Five, 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline has 0 hydrogen bond donor(s) and 6 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-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline?
The CAS number of 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline is 91853-59-7.
What is the molecular formula of 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline?
The molecular formula of 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline is C26H25NO6.
What is the molecular weight of 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline?
The molecular weight of 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline is 447.17 g/mol.
Where can I buy 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline?
You can request a quote for 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzoyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.