Avarone D
TL;DR: Avarone D (CAS 130203-70-2) is a chemical compound with molecular formula C23H30O4 and molecular weight 370.21 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]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
Also Known As: Avarone D, 6'-Acetoxyavarone, 2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-3-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1R-(1alpha,2beta,4alphabeta,8aalpha))-, [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate, (2-(((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl)-3,6-dioxocyclohexa-1,4-dien-1-yl) acetate
| Molecular Formula | C23H30O4 |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.21442 |
| Heavy Atoms | 27 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 130203-70-2 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=O)C=CC3=O)OC(=O)C)CCC=C2C)C |
| InChIKey | LVTXQIOTYUWIRG-APQCTARYSA-N |
Product Overview
Avarone D (CAS 130203-70-2), with molecular formula C23H30O4 and molecular weight 370.21 g/mol. IUPAC: [2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate.
Chemical Property Profile of Avarone D
Property Insights of Avarone D
The XLogP value of 4.8 indicates that Avarone D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Avarone D. Following Lipinski's Rule of Five, Avarone D has 0 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 D?
The CAS number of Avarone D is 130203-70-2.
What is the molecular formula of Avarone D?
The molecular formula of Avarone D is C23H30O4.
What is the molecular weight of Avarone D?
The molecular weight of Avarone D is 370.21 g/mol.
Where can I buy Avarone D?
You can request a quote for Avarone D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avarone D?
Yes, KEHONG BIO provides custom synthesis services for Avarone D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.