Ferugin
TL;DR: Ferugin (CAS 1194-73-6) 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,4S,7S,8aR)-3,7-dihydroxy-8a-methyl-6-methylidene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate
Also Known As: Ferugin, KST-1A0837, 8,9-Dihydro-8,14-dehydro-9-hydroxyferutinin, [(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-8a-methyl-6-methylidene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate, (3r,3as,4s,7s,8ar)-3,7-dihydroxy-8a-methyl-6-methylidene-3-(propan-2-yl)decahydroazulen-4-yl 4-hydroxybenzoate
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 1194-73-6 |
|---|---|
| SMILES | CC(C)[C@@]1(CC[C@]2([C@H]1[C@H](CC(=C)[C@H](C2)O)OC(=O)C3=CC=C(C=C3)O)C)O |
| InChIKey | KZSXMCLSPHIQCN-JIWOIOHBSA-N |
Product Overview
Ferugin (CAS 1194-73-6), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: [(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-8a-methyl-6-methylidene-3-propan-2-yl-2,3a,4,5,7,8-hexahydro-1H-azulen-4-yl] 4-hydroxybenzoate.
Chemical Property Profile of Ferugin
Property Insights of Ferugin
The XLogP value of 3.4 indicates that Ferugin 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 Ferugin. Following Lipinski's Rule of Five, Ferugin 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 Ferugin?
The CAS number of Ferugin is 1194-73-6.
What is the molecular formula of Ferugin?
The molecular formula of Ferugin is C22H30O5.
What is the molecular weight of Ferugin?
The molecular weight of Ferugin is 374.21 g/mol.
Where can I buy Ferugin?
You can request a quote for Ferugin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferugin?
Yes, KEHONG BIO provides custom synthesis services for Ferugin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.