Dolaconine
TL;DR: Dolaconine (CAS 82841-75-6) is a chemical compound with molecular formula C24H37NO5 and molecular weight 419.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate
Also Known As: Dolaconine, (11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate, 20-ethyl-8-hydroxy-1,16-dimethoxyaconitan-14-yl acetate, Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-, 14-acetate, (1alpha,14alpha,16beta)-, (11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-4-yl) acetate
| Molecular Formula | C24H37NO5 |
|---|---|
| Molecular Weight | 419.27 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.26718 |
| Heavy Atoms | 30 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 82841-75-6 |
|---|---|
| SMILES | CCN1CC2CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)OC |
| InChIKey | MLYKFKUTKJPICF-UHFFFAOYSA-N |
Product Overview
Dolaconine (CAS 82841-75-6), with molecular formula C24H37NO5 and molecular weight 419.27 g/mol. IUPAC: (11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) acetate.
Chemical Property Profile of Dolaconine
Property Insights of Dolaconine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dolaconine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dolaconine. Following Lipinski's Rule of Five, Dolaconine has 1 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 Dolaconine?
The CAS number of Dolaconine is 82841-75-6.
What is the molecular formula of Dolaconine?
The molecular formula of Dolaconine is C24H37NO5.
What is the molecular weight of Dolaconine?
The molecular weight of Dolaconine is 419.27 g/mol.
Where can I buy Dolaconine?
You can request a quote for Dolaconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dolaconine?
Yes, KEHONG BIO provides custom synthesis services for Dolaconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.