Armillarin
TL;DR: Armillarin (CAS 88642-93-7) is a chemical compound with molecular formula C24H30O6 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
Also Known As: Armillarin, Armillarine, (2r,2as,4as,7as,7br)-3-formyl-2a-hydroxy-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,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[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-hydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, (2R-(2alpha,2abeta,4aalpha,7aalpha,7bbeta))-
| Molecular Formula | C24H30O6 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.20422 |
| Heavy Atoms | 30 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 88642-93-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)O)C)O)OC |
| InChIKey | ISKWRTCZWOXOOF-GNMVUSIZSA-N |
Product Overview
Armillarin (CAS 88642-93-7), with molecular formula C24H30O6 and molecular weight 414.20 g/mol. IUPAC: [(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate.
Chemical Property Profile of Armillarin
Property Insights of Armillarin
The XLogP value of 4.8 indicates that Armillarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Armillarin. Following Lipinski's Rule of Five, Armillarin 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 Armillarin?
The CAS number of Armillarin is 88642-93-7.
What is the molecular formula of Armillarin?
The molecular formula of Armillarin is C24H30O6.
What is the molecular weight of Armillarin?
The molecular weight of Armillarin is 414.20 g/mol.
Where can I buy Armillarin?
You can request a quote for Armillarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Armillarin?
Yes, KEHONG BIO provides custom synthesis services for Armillarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.