Avarone
TL;DR: Avarone (CAS 55303-99-6) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 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]cyclohexa-2,5-diene-1,4-dione
Also Known As: Avarone, Avrone, awaron, Neoavarone, (+)-Avarone
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 55303-99-6 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C=CC3=O)CCC=C2C)C |
| InChIKey | VPRHEJGLNUDEEH-LWILDLIXSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Avarone (CAS 55303-99-6), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Avarone
Property Insights of Avarone
The XLogP value of 4.8 indicates that Avarone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Avarone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Avarone has 0 hydrogen bond donor(s) and 2 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?
The CAS number of Avarone is 55303-99-6.
What is the molecular formula of Avarone?
The molecular formula of Avarone is C21H28O2.
What is the molecular weight of Avarone?
The molecular weight of Avarone is 312.21 g/mol.
Where can I buy Avarone?
You can request a quote for Avarone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avarone?
Yes, KEHONG BIO provides custom synthesis services for Avarone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.