Fumariline
TL;DR: Fumariline (CAS 23489-00-1) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-6'-methylspiro[6H-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-one
Also Known As: Fumariline, Fumarilin, Frumariline, -Fumariline, (+)-Fumariline
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 23489-00-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@]14CC5=C(C4=O)C6=C(C=C5)OCO6)OCO3 |
| InChIKey | GGQGUBWFVKJOER-FQEVSTJZSA-N |
Product Overview
Fumariline (CAS 23489-00-1), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: (7S)-6'-methylspiro[6H-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-one.
Chemical Property Profile of Fumariline
Property Insights of Fumariline
The XLogP value of 3.0 indicates that Fumariline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Fumariline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fumariline 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 Fumariline?
The CAS number of Fumariline is 23489-00-1.
What is the molecular formula of Fumariline?
The molecular formula of Fumariline is C20H17NO5.
What is the molecular weight of Fumariline?
The molecular weight of Fumariline is 351.11 g/mol.
Where can I buy Fumariline?
You can request a quote for Fumariline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumariline?
Yes, KEHONG BIO provides custom synthesis services for Fumariline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.