伊利醌
TL;DR: 伊利醌 (CAS 71678-03-0) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
伊利醌
3-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: ilimaquinone, 5-Epiilimaquinone, 2-Hydroxy-5-methoxy-3-(((1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydronaphthalen-1-yl)methyl)cyclohexa-2,5-diene-1,4-dione, 5-Methoxy-2-hydroxy-3-(1,2,4a-trimethyl-5-methylenedecalin-1-ylmethyl)-1,4-benzoquinone, 2-hydroxy-5-methoxy-3-[(1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 71678-03-0 |
|---|---|
| SMILES | CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C |
| InChIKey | JJWITJNSXCXULM-UHFFFAOYSA-N |
Product Overview
伊利醌 (CAS 71678-03-0), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: 3-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 伊利醌
Property Insights of 伊利醌
The XLogP value of 5.1 indicates that 伊利醌 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 伊利醌. Following Lipinski's Rule of Five, 伊利醌 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 伊利醌?
The CAS number of 伊利醌 is 71678-03-0.
What is the molecular formula of 伊利醌?
The molecular formula of 伊利醌 is C22H30O4.
What is the molecular weight of 伊利醌?
The molecular weight of 伊利醌 is 358.21 g/mol.
Where can I buy 伊利醌?
You can request a quote for 伊利醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 伊利醌?
Yes, KEHONG BIO provides custom synthesis services for 伊利醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.