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5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
TL;DR: 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 55507-10-3) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 5-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline, NCI60_028489, J2.469.691J, 1-Phenyl-3,4-dihydro-6,7-Methylendioxisochinolin, 5-Phenyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 55507-10-3 |
|---|---|
| SMILES | C1CN=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4 |
| InChIKey | MSIUONOOULABIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 55507-10-3), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 5-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
Property Insights of 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
The XLogP value of 3.1 indicates that 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.8 Ų, 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline has 0 hydrogen bond donor(s) and 3 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 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The CAS number of 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is 55507-10-3.
What is the molecular formula of 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular formula of 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is C16H13NO2.
What is the molecular weight of 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
The molecular weight of 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline is 251.09 g/mol.
Where can I buy 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
You can request a quote for 5-Phenyl-7,8-dihydro-[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 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.