Armillaritin
TL;DR: Armillaritin (CAS 135247-96-0) is a chemical compound with molecular formula C23H28O7 and molecular weight 416.18 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] 2,4-dihydroxy-6-methylbenzoate
Also Known As: Armillaritin, [(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] 2,4-dihydroxy-6-methylbenzoate, (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 2,4-dihydroxy-6-methylbenzoate, [(2R,2aS,4aR,7aR,7bR)-3-ormyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate, 3-Formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
| Molecular Formula | C23H28O7 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1835 |
| Heavy Atoms | 30 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 135247-96-0 |
|---|---|
| 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)O |
| InChIKey | CXDPJDYGYSRNDR-MTJRIOAFSA-N |
Product Overview
Armillaritin (CAS 135247-96-0), with molecular formula C23H28O7 and molecular weight 416.18 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] 2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of Armillaritin
Property Insights of Armillaritin
The XLogP value of 3.1 indicates that Armillaritin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Armillaritin. Following Lipinski's Rule of Five, Armillaritin has 4 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 Armillaritin?
The CAS number of Armillaritin is 135247-96-0.
What is the molecular formula of Armillaritin?
The molecular formula of Armillaritin is C23H28O7.
What is the molecular weight of Armillaritin?
The molecular weight of Armillaritin is 416.18 g/mol.
Where can I buy Armillaritin?
You can request a quote for Armillaritin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Armillaritin?
Yes, KEHONG BIO provides custom synthesis services for Armillaritin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.