Fumaritine
TL;DR: Fumaritine (CAS 24181-78-0) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol
Also Known As: Fumaritine, Fumarophycinol, Fumaritin, Dihydroparfumine, Fumaritine, (+)-
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 24181-78-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)O)OC |
| InChIKey | YUIGSRGRYOBFRF-UHFFFAOYSA-N |
Product Overview
Fumaritine (CAS 24181-78-0), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: 6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol.
Chemical Property Profile of Fumaritine
Property Insights of Fumaritine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumaritine. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumaritine. Following Lipinski's Rule of Five, Fumaritine has 2 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 Fumaritine?
The CAS number of Fumaritine is 24181-78-0.
What is the molecular formula of Fumaritine?
The molecular formula of Fumaritine is C20H21NO5.
What is the molecular weight of Fumaritine?
The molecular weight of Fumaritine is 355.14 g/mol.
Where can I buy Fumaritine?
You can request a quote for Fumaritine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaritine?
Yes, KEHONG BIO provides custom synthesis services for Fumaritine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.