3-Geranyloxyemodin
TL;DR: 3-Geranyloxyemodin (CAS 87605-71-8) is a chemical compound with molecular formula C25H26O5 and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,7-dimethylocta-2,6-dienoxy)-1,8-dihydroxy-6-methylanthracene-9,10-dione
Also Known As: 3-Geranyloxyemodin, 3-(3,7-dimethylocta-2,6-dienoxy)-1,8-dihydroxy-6-methylanthracene-9,10-dione, 3-(3,7-dimethylocta-2,6-dienyloxy)-1,8-dihydroxy-6-methyl-9,10-anthraquinone
| Molecular Formula | C25H26O5 |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.178 |
| Heavy Atoms | 30 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 87605-71-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCC=C(C)CCC=C(C)C |
| InChIKey | JVTPNJZXKNTJEF-UHFFFAOYSA-N |
Product Overview
3-Geranyloxyemodin (CAS 87605-71-8), with molecular formula C25H26O5 and molecular weight 406.18 g/mol. IUPAC: 3-(3,7-dimethylocta-2,6-dienoxy)-1,8-dihydroxy-6-methylanthracene-9,10-dione.
Chemical Property Profile of 3-Geranyloxyemodin
Property Insights of 3-Geranyloxyemodin
The XLogP value of 6.4 indicates that 3-Geranyloxyemodin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Geranyloxyemodin. Following Lipinski's Rule of Five, 3-Geranyloxyemodin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Geranyloxyemodin?
The CAS number of 3-Geranyloxyemodin is 87605-71-8.
What is the molecular formula of 3-Geranyloxyemodin?
The molecular formula of 3-Geranyloxyemodin is C25H26O5.
What is the molecular weight of 3-Geranyloxyemodin?
The molecular weight of 3-Geranyloxyemodin is 406.18 g/mol.
Where can I buy 3-Geranyloxyemodin?
You can request a quote for 3-Geranyloxyemodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Geranyloxyemodin?
Yes, KEHONG BIO provides custom synthesis services for 3-Geranyloxyemodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.