20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol
TL;DR: 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol (CAS 7633-68-3) is a chemical compound with molecular formula C23H37NO5 and molecular weight 407.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5S,6S,8S,13R,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Also Known As: Isotalatizidine, 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol, (1S,5S,6S,8S,13R,16S)-11-Ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol, (1S,5S,6S,8S,13R,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,8,16-triol, (5xi,9xi,10xi,17xi)-20-Ethyl-16beta-methoxy-4beta-(methoxymethyl)-13alpha-aconitane-1alpha,8,14-triol
| Molecular Formula | C23H37NO5 |
|---|---|
| Molecular Weight | 407.27 g/mol |
| LogP | 0.8771 |
| Topological Polar Surface Area | 82.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.26718 |
| Heavy Atoms | 29 |
| Complexity | 704.7557 |
Chemical Identifiers
| CAS Number | 7633-68-3 |
|---|---|
| SMILES | CCN1C[C@]2(CC[C@@H]([C@@]34C2CC(C31)[C@]5(C[C@@H]([C@H]6CC4C5C6O)OC)O)O)COC |
Product Overview
20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol (CAS 7633-68-3), with molecular formula C23H37NO5 and molecular weight 407.27 g/mol. IUPAC: (1S,5S,6S,8S,13R,16S)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol.
Chemical Property Profile of 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol
Property Insights of 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol
The XLogP value of 0.8771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol. The TPSA of 82.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol. Following Lipinski's Rule of Five, 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol has 3 hydrogen bond donor(s) and 6 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-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol?
The CAS number of 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol is 7633-68-3.
What is the molecular formula of 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol?
The molecular formula of 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol is C23H37NO5.
What is the molecular weight of 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol?
The molecular weight of 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol is 407.27 g/mol.
Where can I buy 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol?
You can request a quote for 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-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-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol?
Yes, KEHONG BIO provides custom synthesis services for 20-Ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.