Thalicsessine
TL;DR: Thalicsessine (CAS 113807-86-6) is a chemical compound with molecular formula C22H27NO4 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,11R,14S,17S,18R)-7-(2-hydroxyethyl)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-6,16,19-trione
Also Known As: Thalicsessine, 21-(2-Hydroxyethyl)-6,21-secohetisan-6,11,19-trione, (1S,5R,11R,14S,17S,18R)-7-(2-hydroxyethyl)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-6,16,19-trione, (1S,5R,11R,14S,17S,18R)-7-(2-Hydroxyethyl)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0~1,8~.0~5,17~.0~9,14~.0~14,18~]nonadecane-6,16,19-trione, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C22H27NO4 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.194 |
| Heavy Atoms | 27 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 113807-86-6 |
|---|---|
| SMILES | C[C@@]12CCC[C@]34[C@@H]1C(=O)C[C@]56[C@H]3C(=O)[C@H](CC5C4N(C2=O)CCO)C(=C)C6 |
| InChIKey | SOOGRVQQQMCVQZ-YVFUZPLQSA-N |
Product Overview
Thalicsessine (CAS 113807-86-6), with molecular formula C22H27NO4 and molecular weight 369.19 g/mol. IUPAC: (1S,5R,11R,14S,17S,18R)-7-(2-hydroxyethyl)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-6,16,19-trione.
Chemical Property Profile of Thalicsessine
Property Insights of Thalicsessine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thalicsessine. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thalicsessine. Following Lipinski's Rule of Five, Thalicsessine has 1 hydrogen bond donor(s) and 4 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 Thalicsessine?
The CAS number of Thalicsessine is 113807-86-6.
What is the molecular formula of Thalicsessine?
The molecular formula of Thalicsessine is C22H27NO4.
What is the molecular weight of Thalicsessine?
The molecular weight of Thalicsessine is 369.19 g/mol.
Where can I buy Thalicsessine?
You can request a quote for Thalicsessine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thalicsessine?
Yes, KEHONG BIO provides custom synthesis services for Thalicsessine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.