Illimaquinone 6'-acetate
TL;DR: Illimaquinone 6'-acetate (CAS 131374-20-4) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
Also Known As: Illimaquinone 6'-acetate, Ilimaquinone acetate, 2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-3-(((1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl)-5-methoxy-, 2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-3-((decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl)-5-methoxy-, (1R-(1alpha,2beta4abeta,8aalpha))-, [2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl] acetate
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 131374-20-4 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=O)C=C(C3=O)OC)OC(=O)C)CCCC2=C)C |
| InChIKey | UTCHWIKWEFNPOQ-LLUPRIMMSA-N |
Product Overview
Illimaquinone 6'-acetate (CAS 131374-20-4), with molecular formula C24H32O5 and molecular weight 400.22 g/mol. IUPAC: [2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate.
Chemical Property Profile of Illimaquinone 6'-acetate
Property Insights of Illimaquinone 6'-acetate
The XLogP value of 5.2 indicates that Illimaquinone 6'-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Illimaquinone 6'-acetate. Following Lipinski's Rule of Five, Illimaquinone 6'-acetate has 0 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 Illimaquinone 6'-acetate?
The CAS number of Illimaquinone 6'-acetate is 131374-20-4.
What is the molecular formula of Illimaquinone 6'-acetate?
The molecular formula of Illimaquinone 6'-acetate is C24H32O5.
What is the molecular weight of Illimaquinone 6'-acetate?
The molecular weight of Illimaquinone 6'-acetate is 400.22 g/mol.
Where can I buy Illimaquinone 6'-acetate?
You can request a quote for Illimaquinone 6'-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Illimaquinone 6'-acetate?
Yes, KEHONG BIO provides custom synthesis services for Illimaquinone 6'-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.