Robustol methyl ether
TL;DR: Robustol methyl ether (CAS 27825-39-4) is a chemical compound with molecular formula C29H42O4 and molecular weight 454.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,24,25-trimethoxy-2-oxatricyclo[20.2.2.13,7]heptacosa-1(24),3,5,7(27),22,25-hexaene
Also Known As: Robustol methyl ether, 2-Oxatricyclo[20.2.2.1(3,7)]heptacosa-3,5,7(27),22,24,25-hexaene, 5,24,25-trimethoxy-, 1~5~,3~2~,3~6~-Trimethoxy-2-oxa-1(1,3),3(1,4)-dibenzenacycloheptadecaphane, 2-Oxatricyclo[20.2.2.13,7]heptacosa-3,5,7(27),22,24,25-hexaene, 5,24,25-trimethoxy-, 5,24,25-trimethoxy-2-oxatricyclo[20.2.2.13,7]heptacosa-1(24),3,5,7(27),22,25-hexaene
| Molecular Formula | C29H42O4 |
|---|---|
| Molecular Weight | 454.31 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.30832 |
| Heavy Atoms | 33 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 27825-39-4 |
|---|---|
| SMILES | COC1=CC2=CC(=C1)OC3=C(C=C(CCCCCCCCCCCCCC2)C=C3OC)OC |
| InChIKey | FXHZPQRCAMTPTF-UHFFFAOYSA-N |
Product Overview
Robustol methyl ether (CAS 27825-39-4), with molecular formula C29H42O4 and molecular weight 454.31 g/mol. IUPAC: 5,24,25-trimethoxy-2-oxatricyclo[20.2.2.13,7]heptacosa-1(24),3,5,7(27),22,25-hexaene.
Chemical Property Profile of Robustol methyl ether
Property Insights of Robustol methyl ether
The XLogP value of 10.2 indicates that Robustol methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, Robustol methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Robustol methyl ether has 0 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 Robustol methyl ether?
The CAS number of Robustol methyl ether is 27825-39-4.
What is the molecular formula of Robustol methyl ether?
The molecular formula of Robustol methyl ether is C29H42O4.
What is the molecular weight of Robustol methyl ether?
The molecular weight of Robustol methyl ether is 454.31 g/mol.
Where can I buy Robustol methyl ether?
You can request a quote for Robustol methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Robustol methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Robustol methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.