20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol
TL;DR: 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol (CAS 5453-23-6) is a chemical compound with molecular formula C25H41NO6 and molecular weight 451.29 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-diol
Also Known As: Chasmanine, Chasmanin, Toroko base II, Tokoro-base II, Chasmanine [M+H]+
| Molecular Formula | C25H41NO6 |
|---|---|
| Molecular Weight | 451.29 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.2934 |
| Heavy Atoms | 32 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 5453-23-6 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)OC)COC |
| InChIKey | DBODJJZRZFZBBD-UHFFFAOYSA-N |
Product Overview
20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol (CAS 5453-23-6), with molecular formula C25H41NO6 and molecular weight 451.29 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-diol.
Chemical Property Profile of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol
Property Insights of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol. Following Lipinski's Rule of Five, 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol has 2 hydrogen bond donor(s) and 7 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-8,14-diol?
The CAS number of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol is 5453-23-6.
What is the molecular formula of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol?
The molecular formula of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol is C25H41NO6.
What is the molecular weight of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol?
The molecular weight of 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol is 451.29 g/mol.
Where can I buy 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol?
You can request a quote for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol 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-8,14-diol?
Yes, KEHONG BIO provides custom synthesis services for 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.