Cassaine hydrochloride
TL;DR: Cassaine hydrochloride (CAS 33445-03-3) is a chemical compound with molecular formula C24H40ClNO4 and molecular weight 441.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl (2E)-2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate;hydrochloride
Also Known As: Cassaine hydrochloride, Cassaine HCl, CASSAINE, 2-(dimethylamino)ethyl (2E)-2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate;hydrochloride, 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-hydroxy-14-alpha-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, hydrochloride, (E)-
| Molecular Formula | C24H40ClNO4 |
|---|---|
| Molecular Weight | 441.26 g/mol |
| LogP | 3.8779 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.2646 |
| Heavy Atoms | 30 |
| Complexity | 688.6934 |
Chemical Identifiers
| CAS Number | 33445-03-3 |
|---|---|
| SMILES | CC\1C2C(CC/C1=C\C(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C.Cl |
Product Overview
Cassaine hydrochloride (CAS 33445-03-3), with molecular formula C24H40ClNO4 and molecular weight 441.26 g/mol. IUPAC: 2-(dimethylamino)ethyl (2E)-2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate;hydrochloride.
Chemical Property Profile of Cassaine hydrochloride
Property Insights of Cassaine hydrochloride
The XLogP value of 3.8779 indicates that Cassaine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Cassaine hydrochloride. Following Lipinski's Rule of Five, Cassaine hydrochloride has 1 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 Cassaine hydrochloride?
The CAS number of Cassaine hydrochloride is 33445-03-3.
What is the molecular formula of Cassaine hydrochloride?
The molecular formula of Cassaine hydrochloride is C24H40ClNO4.
What is the molecular weight of Cassaine hydrochloride?
The molecular weight of Cassaine hydrochloride is 441.26 g/mol.
Where can I buy Cassaine hydrochloride?
You can request a quote for Cassaine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cassaine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cassaine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.