20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol
TL;DR: 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol (CAS 5459-32-5) is a chemical compound with molecular formula C25H41NO7 and molecular weight 467.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
Also Known As: Browniine, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol, 11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol, Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-, O(C)C1CCC2(COC)CN(CC)C3C4(O)C(OC)C2C13C5CC6C(OC)CC4(O)C5C6O
| Molecular Formula | C25H41NO7 |
|---|---|
| Molecular Weight | 467.29 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.2883 |
| Heavy Atoms | 33 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 5459-32-5 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)OC)OC)COC |
| InChIKey | MODXUQZMEBLSJD-UHFFFAOYSA-N |
Product Overview
20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol (CAS 5459-32-5), with molecular formula C25H41NO7 and molecular weight 467.29 g/mol. IUPAC: 11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol.
Chemical Property Profile of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol
Property Insights of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol
The XLogP value of -0.6 indicates that 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol. Following Lipinski's Rule of Five, 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol has 3 hydrogen bond donor(s) and 8 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 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol?
The CAS number of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol is 5459-32-5.
What is the molecular formula of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol?
The molecular formula of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol is C25H41NO7.
What is the molecular weight of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol?
The molecular weight of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol is 467.29 g/mol.
Where can I buy 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol?
You can request a quote for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol?
Yes, KEHONG BIO provides custom synthesis services for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.