Armillarilin
TL;DR: Armillarilin (CAS 14938-60-4) is a chemical compound with molecular formula C24H30O7 and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
Also Known As: Armillarilin, KST-1A1549, (2r,2as,4ar,7ar,7br)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1h-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate, [(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate, Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester
| Molecular Formula | C24H30O7 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.19916 |
| Heavy Atoms | 31 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 14938-60-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C)O)OC |
| InChIKey | JGQMXVRWAOSIBE-NUXVFQDLSA-N |
Product Overview
Armillarilin (CAS 14938-60-4), with molecular formula C24H30O7 and molecular weight 430.20 g/mol. IUPAC: [(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate.
Chemical Property Profile of Armillarilin
Property Insights of Armillarilin
The XLogP value of 3.4 indicates that Armillarilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Armillarilin. Following Lipinski's Rule of Five, Armillarilin has 3 hydrogen bond donor(s) and 7 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 Armillarilin?
The CAS number of Armillarilin is 14938-60-4.
What is the molecular formula of Armillarilin?
The molecular formula of Armillarilin is C24H30O7.
What is the molecular weight of Armillarilin?
The molecular weight of Armillarilin is 430.20 g/mol.
Where can I buy Armillarilin?
You can request a quote for Armillarilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Armillarilin?
Yes, KEHONG BIO provides custom synthesis services for Armillarilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.