Carmichaeline
TL;DR: Carmichaeline (CAS 39089-30-0) 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.
(1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Also Known As: Karacoline, Karakoline, Carmicheline, Carmichaeline, 20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triol
| Molecular Formula | C22H35NO4 |
|---|---|
| Molecular Weight | 377.26 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.25662 |
| Heavy Atoms | 27 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 39089-30-0 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)C |
| InChIKey | HKQZUYOVMYOFIT-VHNBHZRZSA-N |
Product Overview
Carmichaeline (CAS 39089-30-0), with molecular formula C22H35NO4 and molecular weight 377.26 g/mol. IUPAC: (1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol.
Chemical Property Profile of Carmichaeline
Property Insights of Carmichaeline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carmichaeline. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carmichaeline. Following Lipinski's Rule of Five, Carmichaeline has 3 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 Carmichaeline?
The CAS number of Carmichaeline is 39089-30-0.
What is the molecular formula of Carmichaeline?
The molecular formula of Carmichaeline is C22H35NO4.
What is the molecular weight of Carmichaeline?
The molecular weight of Carmichaeline is 377.26 g/mol.
Where can I buy Carmichaeline?
You can request a quote for Carmichaeline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carmichaeline?
Yes, KEHONG BIO provides custom synthesis services for Carmichaeline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.