Arnebinone
TL;DR: Arnebinone (CAS 87255-09-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethenyl-2,3-dimethoxy-8-methyl-5-prop-1-en-2-yl-6,7-dihydro-5H-naphthalene-1,4-dione
Also Known As: Arnebinone, amebinone, 8-ethenyl-2,3-dimethoxy-8-methyl-5-prop-1-en-2-yl-6,7-dihydro-5H-naphthalene-1,4-dione, 5-isopropenyl-2,3-dimethoxy-8-methyl-8-vinyl-6,7-dihydro-5H-naphthalene-1,4-dione, 5-Ethenyl-5,6,7,8-tetrahydro-2,3-dimethoxy-5-methyl-8-isopropenyl-1,4-naphthalenedione
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 87255-09-2 |
|---|---|
| SMILES | CC(=C)C1CCC(C2=C1C(=O)C(=C(C2=O)OC)OC)(C)C=C |
| InChIKey | OXNJGMNJOVOFOW-UHFFFAOYSA-N |
Product Overview
Arnebinone (CAS 87255-09-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 8-ethenyl-2,3-dimethoxy-8-methyl-5-prop-1-en-2-yl-6,7-dihydro-5H-naphthalene-1,4-dione.
Chemical Property Profile of Arnebinone
Property Insights of Arnebinone
The XLogP value of 4.2 indicates that Arnebinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Arnebinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arnebinone 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 Arnebinone?
The CAS number of Arnebinone is 87255-09-2.
What is the molecular formula of Arnebinone?
The molecular formula of Arnebinone is C18H22O4.
What is the molecular weight of Arnebinone?
The molecular weight of Arnebinone is 302.15 g/mol.
Where can I buy Arnebinone?
You can request a quote for Arnebinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arnebinone?
Yes, KEHONG BIO provides custom synthesis services for Arnebinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.