2-Isoprenylemodin
TL;DR: 2-Isoprenylemodin (CAS 82345-58-2) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,8-trihydroxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione
Also Known As: 2-Isoprenylemodin, 2-isopentenylemodine, 1,3,8-trihydroxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione, 1,3,8-Trihydroxy-6-methyl-2-(3-methyl-2-butenyl)-9,10-anthraquinone, 1,3,8-Trihydroxy-6-methyl-2-(3-methylbut-2-en-1-yl)anthracene-9,10-dione
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 82345-58-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)O)CC=C(C)C)O |
| InChIKey | WQTDARJAYXTHNU-UHFFFAOYSA-N |
Product Overview
2-Isoprenylemodin (CAS 82345-58-2), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: 1,3,8-trihydroxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione.
Chemical Property Profile of 2-Isoprenylemodin
Property Insights of 2-Isoprenylemodin
The XLogP value of 4.6 indicates that 2-Isoprenylemodin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isoprenylemodin. Following Lipinski's Rule of Five, 2-Isoprenylemodin has 3 hydrogen bond donor(s) and 5 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 2-Isoprenylemodin?
The CAS number of 2-Isoprenylemodin is 82345-58-2.
What is the molecular formula of 2-Isoprenylemodin?
The molecular formula of 2-Isoprenylemodin is C20H18O5.
What is the molecular weight of 2-Isoprenylemodin?
The molecular weight of 2-Isoprenylemodin is 338.12 g/mol.
Where can I buy 2-Isoprenylemodin?
You can request a quote for 2-Isoprenylemodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isoprenylemodin?
Yes, KEHONG BIO provides custom synthesis services for 2-Isoprenylemodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.