Secoverine
TL;DR: Secoverine (CAS 57558-44-8) is a chemical compound with molecular formula C22H35NO2 and molecular weight 345.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
Also Known As: Secoverine, Dexsecoverine, Secoverina, Secoverinum, secovorine
| Molecular Formula | C22H35NO2 |
|---|---|
| Molecular Weight | 345.27 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 345.26678 |
| Heavy Atoms | 25 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 57558-44-8 |
|---|---|
| SMILES | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC |
| InChIKey | WAVYHSURRZBQKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Secoverine (CAS 57558-44-8), with molecular formula C22H35NO2 and molecular weight 345.27 g/mol. IUPAC: 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one.
Chemical Property Profile of Secoverine
Property Insights of Secoverine
The XLogP value of 5.1 indicates that Secoverine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Secoverine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Secoverine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Secoverine?
The CAS number of Secoverine is 57558-44-8.
What is the molecular formula of Secoverine?
The molecular formula of Secoverine is C22H35NO2.
What is the molecular weight of Secoverine?
The molecular weight of Secoverine is 345.27 g/mol.
Where can I buy Secoverine?
You can request a quote for Secoverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secoverine?
Yes, KEHONG BIO provides custom synthesis services for Secoverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.