Delavaconine
TL;DR: Delavaconine (CAS 1356-51-0) is a chemical compound with molecular formula C22H35NO5 and molecular weight 393.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5R,6S,8S,9S,13R,16S)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8-triol
Also Known As: Delavaconine, 20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol, Aconitane-8,13,14-triol, 20-ethyl-1,16-dimethoxy-, (1alpha,14alpha,16beta)-, (5xi,9xi,10xi)-20-Ethyl-1alpha,16beta-dimethoxy-13alpha,17xi-aconitane-8,13,14beta-triol, (1R,4R,5R,6S,8S,9S,13R,16S)-11-ethyl-6,16-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,5,8-triol
| Molecular Formula | C22H35NO5 |
|---|---|
| Molecular Weight | 393.25 g/mol |
| LogP | 0.6295 |
| Topological Polar Surface Area | 82.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.25153 |
| Heavy Atoms | 28 |
| Complexity | 689.83826 |
Chemical Identifiers
| CAS Number | 1356-51-0 |
|---|---|
| SMILES | CCN1C[C@@H]2CC[C@@H]([C@@]34C2C[C@@H](C31)[C@]5(C[C@@H]([C@]6(CC4C5[C@H]6O)O)OC)O)OC |
Product Overview
Delavaconine (CAS 1356-51-0), with molecular formula C22H35NO5 and molecular weight 393.25 g/mol. IUPAC: (1R,4R,5R,6S,8S,9S,13R,16S)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8-triol.
Chemical Property Profile of Delavaconine
Property Insights of Delavaconine
The XLogP value of 0.6295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Delavaconine. The TPSA of 82.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Delavaconine. Following Lipinski's Rule of Five, Delavaconine 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 Delavaconine?
The CAS number of Delavaconine is 1356-51-0.
What is the molecular formula of Delavaconine?
The molecular formula of Delavaconine is C22H35NO5.
What is the molecular weight of Delavaconine?
The molecular weight of Delavaconine is 393.25 g/mol.
Where can I buy Delavaconine?
You can request a quote for Delavaconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Delavaconine?
Yes, KEHONG BIO provides custom synthesis services for Delavaconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.