Denudatine
TL;DR: Denudatine (CAS 26166-37-0) is a chemical compound with molecular formula C22H33NO2 and molecular weight 343.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9R,10S,11R,13R,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol
Also Known As: Denudatine, HY-N1982, 16,17-Didehydro-21-ethyl-4-methyl-7,20-cycloatidane-11-beta,15-beta-diol, 7,20-Cycloatidane-11,15-diol, 16,17-didehydro-21-ethyl-4-methyl-, (11-beta,15-beta)-, (8R,9R,10S,11R,13R,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol
| Molecular Formula | C22H33NO2 |
|---|---|
| Molecular Weight | 343.25 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.25113 |
| Heavy Atoms | 25 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 26166-37-0 |
|---|---|
| SMILES | CCN1CC2(CCCC34[C@@H]2C[C@@H]([C@H]31)[C@]56[C@H]4[C@H]([C@H](CC5)C(=C)[C@H]6O)O)C |
| InChIKey | OVXLNQAYPUEDSI-UQSSLJFWSA-N |
Product Overview
Denudatine (CAS 26166-37-0), with molecular formula C22H33NO2 and molecular weight 343.25 g/mol. IUPAC: (8R,9R,10S,11R,13R,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol.
Chemical Property Profile of Denudatine
Property Insights of Denudatine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Denudatine. With a topological polar surface area (TPSA) of 43.7 Ų, Denudatine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Denudatine has 2 hydrogen bond donor(s) and 3 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 Denudatine?
The CAS number of Denudatine is 26166-37-0.
What is the molecular formula of Denudatine?
The molecular formula of Denudatine is C22H33NO2.
What is the molecular weight of Denudatine?
The molecular weight of Denudatine is 343.25 g/mol.
Where can I buy Denudatine?
You can request a quote for Denudatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denudatine?
Yes, KEHONG BIO provides custom synthesis services for Denudatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.