Armillarivin
TL;DR: Armillarivin (CAS 135247-97-1) is a chemical compound with molecular formula C23H28O5 and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,2aR,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
Also Known As: Armillarivin, (+)-Armillarivin, J3.168.555I, [(2R,2aR,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate, Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, (2alpha,2abeta,4aalpha,7aalpha,7bbeta)-(+)-
| Molecular Formula | C23H28O5 |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.19366 |
| Heavy Atoms | 28 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 135247-97-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@H]2C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)C)O)O |
| InChIKey | NFCOJBIECSQMAM-JQISRXLJSA-N |
Product Overview
Armillarivin (CAS 135247-97-1), with molecular formula C23H28O5 and molecular weight 384.19 g/mol. IUPAC: [(2R,2aR,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of Armillarivin
Property Insights of Armillarivin
The XLogP value of 5.1 indicates that Armillarivin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Armillarivin. Following Lipinski's Rule of Five, Armillarivin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Armillarivin?
The CAS number of Armillarivin is 135247-97-1.
What is the molecular formula of Armillarivin?
The molecular formula of Armillarivin is C23H28O5.
What is the molecular weight of Armillarivin?
The molecular weight of Armillarivin is 384.19 g/mol.
Where can I buy Armillarivin?
You can request a quote for Armillarivin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Armillarivin?
Yes, KEHONG BIO provides custom synthesis services for Armillarivin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.