Avarone A
TL;DR: Avarone A (CAS 130203-67-7) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 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]-6-hydroxycyclohexa-2,5-diene-1,4-dione
Also Known As: Avarone A, 3'-Hydroxyavarone, 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-6-(((1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-6-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-, 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxy-1,4-benzoquinone
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 130203-67-7 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C=C(C3=O)O)CCC=C2C)C |
| InChIKey | RQEBMLJSOUMSIH-FEHMIHBQSA-N |
Product Overview
Avarone A (CAS 130203-67-7), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-6-hydroxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Avarone A
Property Insights of Avarone A
The XLogP value of 4.7 indicates that Avarone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Avarone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Avarone A has 1 hydrogen bond donor(s) and 3 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 A?
The CAS number of Avarone A is 130203-67-7.
What is the molecular formula of Avarone A?
The molecular formula of Avarone A is C21H28O3.
What is the molecular weight of Avarone A?
The molecular weight of Avarone A is 328.20 g/mol.
Where can I buy Avarone A?
You can request a quote for Avarone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avarone A?
Yes, KEHONG BIO provides custom synthesis services for Avarone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.