Evasidol
TL;DR: Evasidol (CAS 5585-73-9) is a chemical compound with molecular formula C21H28ClN and molecular weight 329.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]azanium chloride
Also Known As: Evasidol, Evadene, Evadyne, Butriptyline hydrochloride, Butriptyline HCl
| Molecular Formula | C21H28ClN |
|---|---|
| Molecular Weight | 329.19 g/mol |
| LogP | 0.09 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.19104 |
| Heavy Atoms | 23 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5585-73-9 |
|---|---|
| SMILES | CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)C[NH+](C)C.[Cl-] |
| InChIKey | MCWAFEJHLHEFOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Evasidol (CAS 5585-73-9), with molecular formula C21H28ClN and molecular weight 329.19 g/mol. IUPAC: dimethyl-[2-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]azanium chloride.
Chemical Property Profile of Evasidol
Property Insights of Evasidol
The XLogP value of 0.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Evasidol. With a topological polar surface area (TPSA) of 4.4 Ų, Evasidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Evasidol has 1 hydrogen bond donor(s) and 1 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 Evasidol?
The CAS number of Evasidol is 5585-73-9.
What is the molecular formula of Evasidol?
The molecular formula of Evasidol is C21H28ClN.
What is the molecular weight of Evasidol?
The molecular weight of Evasidol is 329.19 g/mol.
Where can I buy Evasidol?
You can request a quote for Evasidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Evasidol?
Yes, KEHONG BIO provides custom synthesis services for Evasidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.