Filicin
TL;DR: Filicin (CAS 4482-83-1) is a chemical compound with molecular formula C36H44O12 and molecular weight 668.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: Filicin, Filixic acid BBB, Filixic acid, Filixsaeure, Filixsaeure [German]
| Molecular Formula | C36H44O12 |
|---|---|
| Molecular Weight | 668.28 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 668.28326 |
| Heavy Atoms | 48 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 4482-83-1 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)CC3=C(C(C(=O)C(=C3O)C(=O)CCC)(C)C)O)O |
| InChIKey | FRTCWDLFHSMTNW-UHFFFAOYSA-N |
Product Overview
Filicin (CAS 4482-83-1), with molecular formula C36H44O12 and molecular weight 668.28 g/mol. IUPAC: 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of Filicin
Property Insights of Filicin
The XLogP value of 4.9 indicates that Filicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 227.0 Ų indicates high polarity, suggesting Filicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Filicin has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Filicin?
The CAS number of Filicin is 4482-83-1.
What is the molecular formula of Filicin?
The molecular formula of Filicin is C36H44O12.
What is the molecular weight of Filicin?
The molecular weight of Filicin is 668.28 g/mol.
Where can I buy Filicin?
You can request a quote for Filicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Filicin?
Yes, KEHONG BIO provides custom synthesis services for Filicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.