Ecgonine methyl ester hydrochloride
TL;DR: Ecgonine methyl ester hydrochloride (CAS 50992-31-9) is a chemical compound with molecular formula C10H18ClNO3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: Tschimgin, Ecgonine methyl ester hydrochloride, Methylecognine hydrochloride, Ecgonine methylester.HCl, Methl ester of ecognine hydrochloride
| Molecular Formula | C10H18ClNO3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 0.4248 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09752 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 50992-31-9 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC.Cl |
| InChIKey | RLLMNWXOZDXKCQ-NPPHLGRCSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ecgonine methyl ester hydrochloride (CAS 50992-31-9), with molecular formula C10H18ClNO3 and molecular weight 235.10 g/mol. IUPAC: methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of Ecgonine methyl ester hydrochloride
Property Insights of Ecgonine methyl ester hydrochloride
The XLogP value of 0.4248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ecgonine methyl ester hydrochloride. With a topological polar surface area (TPSA) of 49.8 Ų, Ecgonine methyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ecgonine methyl ester hydrochloride has 2 hydrogen bond donor(s) and 4 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 Ecgonine methyl ester hydrochloride?
The CAS number of Ecgonine methyl ester hydrochloride is 50992-31-9.
What is the molecular formula of Ecgonine methyl ester hydrochloride?
The molecular formula of Ecgonine methyl ester hydrochloride is C10H18ClNO3.
What is the molecular weight of Ecgonine methyl ester hydrochloride?
The molecular weight of Ecgonine methyl ester hydrochloride is 235.10 g/mol.
Where can I buy Ecgonine methyl ester hydrochloride?
You can request a quote for Ecgonine methyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ecgonine methyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ecgonine methyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.