Feruginidin
TL;DR: Feruginidin (CAS 1194-74-7) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
Also Known As: Feruginidin, 14-Hydroxyferutinin, KST-1A0838, (3r,3as)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate, Benzoic acid,4-hydroxy-,(3R,3aS,4S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-(1-methylethyl)-4-azulenylester, rel-(+)-
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 1194-74-7 |
|---|---|
| SMILES | CC(C)[C@@]1(CCC2([C@H]1C(CC(=CC2)CO)OC(=O)C3=CC=C(C=C3)O)C)O |
| InChIKey | FPUSCWGZFFIOSW-XZJNEJNUSA-N |
Product Overview
Feruginidin (CAS 1194-74-7), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: [(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate.
Chemical Property Profile of Feruginidin
Property Insights of Feruginidin
The XLogP value of 3.2 indicates that Feruginidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Feruginidin. Following Lipinski's Rule of Five, Feruginidin has 3 hydrogen bond donor(s) and 5 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 Feruginidin?
The CAS number of Feruginidin is 1194-74-7.
What is the molecular formula of Feruginidin?
The molecular formula of Feruginidin is C22H30O5.
What is the molecular weight of Feruginidin?
The molecular weight of Feruginidin is 374.21 g/mol.
Where can I buy Feruginidin?
You can request a quote for Feruginidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Feruginidin?
Yes, KEHONG BIO provides custom synthesis services for Feruginidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.