Avarone E
TL;DR: Avarone E (CAS 130203-71-3) 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.
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: Avarone E, 6'-Hydroxy-4'-methoxyavarone, 2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-5-methoxy-2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1R-(1alpha,2beta,4alphabeta,8aalpha))-, 2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-5-methoxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,2.beta.,4.alpha..beta.,8a.alpha.)]-, 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3-hydroxy-5-methoxy-1,4-benzoquinone
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.8 |
| 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 | 741.0 |
Chemical Identifiers
| CAS Number | 130203-71-3 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=O)C(=CC3=O)OC)O)CCC=C2C)C |
| InChIKey | ZEMBAQORKKQPSC-YVUMSICPSA-N |
Product Overview
Avarone E (CAS 130203-71-3), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Avarone E
Property Insights of Avarone E
The XLogP value of 4.8 indicates that Avarone E 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 Avarone E. Following Lipinski's Rule of Five, Avarone E has 1 hydrogen bond donor(s) and 4 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 Avarone E?
The CAS number of Avarone E is 130203-71-3.
What is the molecular formula of Avarone E?
The molecular formula of Avarone E is C22H30O4.
What is the molecular weight of Avarone E?
The molecular weight of Avarone E is 358.21 g/mol.
Where can I buy Avarone E?
You can request a quote for Avarone E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avarone E?
Yes, KEHONG BIO provides custom synthesis services for Avarone E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.