Aconosine
TL;DR: Aconosine (CAS 38839-95-1) is a chemical compound with molecular formula C22H35NO4 and molecular weight 377.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Also Known As: Aconosine, Acnosine, 20-ethyl-1,16-dimethoxyaconitane-8,14-diol, 11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol, Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, (1-alpha,14-alpha,16-beta)-
| Molecular Formula | C22H35NO4 |
|---|---|
| Molecular Weight | 377.26 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.25662 |
| Heavy Atoms | 27 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 38839-95-1 |
|---|---|
| SMILES | CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC |
| InChIKey | VCOQRRVEIUTMFC-UHFFFAOYSA-N |
Product Overview
Aconosine (CAS 38839-95-1), with molecular formula C22H35NO4 and molecular weight 377.26 g/mol. IUPAC: 11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol.
Chemical Property Profile of Aconosine
Property Insights of Aconosine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aconosine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Aconosine. Following Lipinski's Rule of Five, Aconosine has 2 hydrogen bond donor(s) and 5 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 Aconosine?
The CAS number of Aconosine is 38839-95-1.
What is the molecular formula of Aconosine?
The molecular formula of Aconosine is C22H35NO4.
What is the molecular weight of Aconosine?
The molecular weight of Aconosine is 377.26 g/mol.
Where can I buy Aconosine?
You can request a quote for Aconosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aconosine?
Yes, KEHONG BIO provides custom synthesis services for Aconosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.