5-O-Methylembelin
TL;DR: 5-O-Methylembelin (CAS 56005-10-8) is a chemical compound with molecular formula C18H28O4 and molecular weight 308.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Also Known As: 5-O-Methylembelin, 5-O-methyl embelin, 2-Hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone, 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione, 2-Hydroxy-5-methoxy-3-undecyl-[1,4]benzoquinone
| Molecular Formula | C18H28O4 |
|---|---|
| Molecular Weight | 308.20 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 308.19876 |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
| Melting Point | 95 - 96 °C |
Chemical Identifiers
| CAS Number | 56005-10-8 |
|---|---|
| SMILES | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O |
| InChIKey | KHBJLRRAMCJZLZ-UHFFFAOYSA-N |
Product Overview
5-O-Methylembelin (CAS 56005-10-8), with molecular formula C18H28O4 and molecular weight 308.20 g/mol. IUPAC: 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 5-O-Methylembelin
Property Insights of 5-O-Methylembelin
The XLogP value of 5.7 indicates that 5-O-Methylembelin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-O-Methylembelin. Following Lipinski's Rule of Five, 5-O-Methylembelin has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-O-Methylembelin?
The CAS number of 5-O-Methylembelin is 56005-10-8.
What is the molecular formula of 5-O-Methylembelin?
The molecular formula of 5-O-Methylembelin is C18H28O4.
What is the molecular weight of 5-O-Methylembelin?
The molecular weight of 5-O-Methylembelin is 308.20 g/mol.
Where can I buy 5-O-Methylembelin?
You can request a quote for 5-O-Methylembelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-O-Methylembelin?
Yes, KEHONG BIO provides custom synthesis services for 5-O-Methylembelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.