Selegiline Hydrochloride
TL;DR: Selegiline Hydrochloride (CAS 14611-52-0) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochloride
Also Known As: Selegiline hydrochloride, Selegiline Hcl, Eldepryl, Zelapar, Emsam
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
| Melting Point | 141-142 °C |
| Solubility | 18.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 14611-52-0 |
|---|---|
| SMILES | C[C@H](CC1=CC=CC=C1)N(C)CC#C.Cl |
| InChIKey | IYETZZCWLLUHIJ-UTONKHPSSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Selegiline Hydrochloride (CAS 14611-52-0), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochloride.
Chemical Property Profile of Selegiline Hydrochloride
Property Insights of Selegiline Hydrochloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Selegiline Hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, Selegiline Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Selegiline Hydrochloride 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 Selegiline Hydrochloride?
The CAS number of Selegiline Hydrochloride is 14611-52-0.
What is the molecular formula of Selegiline Hydrochloride?
The molecular formula of Selegiline Hydrochloride is C13H18ClN.
What is the molecular weight of Selegiline Hydrochloride?
The molecular weight of Selegiline Hydrochloride is 223.11 g/mol.
Where can I buy Selegiline Hydrochloride?
You can request a quote for Selegiline Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Selegiline Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Selegiline Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.