Secoverine HCl
TL;DR: Secoverine HCl (CAS 57558-46-0) is a chemical compound with molecular formula C22H36ClNO2 and molecular weight 381.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyclohexyl-4-oxobutyl)-ethyl-[1-(4-methoxyphenyl)propan-2-yl]azanium chloride
Also Known As: Secoverine HCl, SECOVERINE HYDROCHLORIDE, PHENETHICILLINPOTASSIUMSALT, 1-Cyclohexyl-4-(ethyl-(p-methoxy-alpha-methylphenethyl)amino)-1-butanone hydrochloride, 1-Butanone, 1-cyclohexyl-4-(N-ethyl(p-methoxy-alpha-methylphenethyl)amino)-, hydrochloride
| Molecular Formula | C22H36ClNO2 |
|---|---|
| Molecular Weight | 381.24 g/mol |
| LogP | 0.46 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 381.24347 |
| Heavy Atoms | 26 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 57558-46-0 |
|---|---|
| SMILES | CC[NH+](CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC.[Cl-] |
| InChIKey | YBNFCHDBXWWVCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Secoverine HCl (CAS 57558-46-0), with molecular formula C22H36ClNO2 and molecular weight 381.24 g/mol. IUPAC: (4-cyclohexyl-4-oxobutyl)-ethyl-[1-(4-methoxyphenyl)propan-2-yl]azanium chloride.
Chemical Property Profile of Secoverine HCl
Property Insights of Secoverine HCl
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Secoverine HCl. With a topological polar surface area (TPSA) of 30.7 Ų, Secoverine HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Secoverine HCl has 1 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 Secoverine HCl?
The CAS number of Secoverine HCl is 57558-46-0.
What is the molecular formula of Secoverine HCl?
The molecular formula of Secoverine HCl is C22H36ClNO2.
What is the molecular weight of Secoverine HCl?
The molecular weight of Secoverine HCl is 381.24 g/mol.
Where can I buy Secoverine HCl?
You can request a quote for Secoverine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secoverine HCl?
Yes, KEHONG BIO provides custom synthesis services for Secoverine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.