Arnebin I
TL;DR: Arnebin I (CAS 5162-01-6) is a chemical compound with molecular formula C21H22O6 and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate
Also Known As: Dmask, Isoarnebin I, Arnebin 1, (Rac)-Arnebin 1, Arnebin I
| Molecular Formula | C21H22O6 |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.14163 |
| Heavy Atoms | 27 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 5162-01-6 |
|---|---|
| SMILES | CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C |
| InChIKey | BATBOVZTQBLKIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arnebin I (CAS 5162-01-6), with molecular formula C21H22O6 and molecular weight 370.14 g/mol. IUPAC: [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate.
Chemical Property Profile of Arnebin I
Property Insights of Arnebin I
The XLogP value of 5.0 indicates that Arnebin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Arnebin I. Following Lipinski's Rule of Five, Arnebin I has 2 hydrogen bond donor(s) and 6 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 Arnebin I?
The CAS number of Arnebin I is 5162-01-6.
What is the molecular formula of Arnebin I?
The molecular formula of Arnebin I is C21H22O6.
What is the molecular weight of Arnebin I?
The molecular weight of Arnebin I is 370.14 g/mol.
Where can I buy Arnebin I?
You can request a quote for Arnebin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arnebin I?
Yes, KEHONG BIO provides custom synthesis services for Arnebin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.