Ecgonine HCl
TL;DR: Ecgonine HCl (CAS 5796-31-6) is a chemical compound with molecular formula C9H16ClNO3 and molecular weight 221.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
Also Known As: Ecgonine HCl, Ekgonin hydrochloride, KST-1A6358, (1r,2r,3s,5r)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid hydrochloride(1:1), 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid--hydrogen chloride (1/1)
| Molecular Formula | C9H16ClNO3 |
|---|---|
| Molecular Weight | 221.08 g/mol |
| LogP | 0.3364 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.08188 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5796-31-6 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O.Cl |
| InChIKey | HVWQTEPEBQYIFB-HZIXLPQISA-N |
Product Overview
Ecgonine HCl (CAS 5796-31-6), with molecular formula C9H16ClNO3 and molecular weight 221.08 g/mol. IUPAC: (1R,2R,3S,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride.
Chemical Property Profile of Ecgonine HCl
Property Insights of Ecgonine HCl
The XLogP value of 0.3364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ecgonine HCl. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecgonine HCl. Following Lipinski's Rule of Five, Ecgonine HCl has 3 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 HCl?
The CAS number of Ecgonine HCl is 5796-31-6.
What is the molecular formula of Ecgonine HCl?
The molecular formula of Ecgonine HCl is C9H16ClNO3.
What is the molecular weight of Ecgonine HCl?
The molecular weight of Ecgonine HCl is 221.08 g/mol.
Where can I buy Ecgonine HCl?
You can request a quote for Ecgonine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ecgonine HCl?
Yes, KEHONG BIO provides custom synthesis services for Ecgonine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.