Armillarinin
TL;DR: Armillarinin (CAS 1493-54-5) is a chemical compound with molecular formula C24H29ClO7 and molecular weight 464.16 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] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Also Known As: Armillarinin, 13-hydroxymelleolide K, KST-1A1547, J3.388.182G, (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 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
| Molecular Formula | C24H29ClO7 |
|---|---|
| Molecular Weight | 464.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.1602 |
| Heavy Atoms | 32 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 1493-54-5 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C |
| InChIKey | XOGUZUVXPLTDMB-FUVFEPFRSA-N |
Product Overview
Armillarinin (CAS 1493-54-5), with molecular formula C24H29ClO7 and molecular weight 464.16 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] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate.
Chemical Property Profile of Armillarinin
Property Insights of Armillarinin
The XLogP value of 4.0 indicates that Armillarinin 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 Armillarinin. Following Lipinski's Rule of Five, Armillarinin 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 Armillarinin?
The CAS number of Armillarinin is 1493-54-5.
What is the molecular formula of Armillarinin?
The molecular formula of Armillarinin is C24H29ClO7.
What is the molecular weight of Armillarinin?
The molecular weight of Armillarinin is 464.16 g/mol.
Where can I buy Armillarinin?
You can request a quote for Armillarinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Armillarinin?
Yes, KEHONG BIO provides custom synthesis services for Armillarinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.