Pseudoecgonine
TL;DR: Pseudoecgonine (CAS 481-38-9) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Also Known As: Pseudoecgonine, Ecgonine, Pseudo-ecgonine, d-Pseudoecgonine, d-psi-Ecgonine
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 481-38-9 |
|---|---|
| SMILES | CN1C2CCC1[C@@H]([C@H](C2)O)C(=O)O |
| InChIKey | PHMBVCPLDPDESM-GHNGIAPOSA-N |
Product Overview
Pseudoecgonine (CAS 481-38-9), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: (2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid.
Chemical Property Profile of Pseudoecgonine
Property Insights of Pseudoecgonine
The XLogP value of -1.8 indicates that Pseudoecgonine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudoecgonine. Following Lipinski's Rule of Five, Pseudoecgonine 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 Pseudoecgonine?
The CAS number of Pseudoecgonine is 481-38-9.
What is the molecular formula of Pseudoecgonine?
The molecular formula of Pseudoecgonine is C9H15NO3.
What is the molecular weight of Pseudoecgonine?
The molecular weight of Pseudoecgonine is 185.11 g/mol.
Where can I buy Pseudoecgonine?
You can request a quote for Pseudoecgonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudoecgonine?
Yes, KEHONG BIO provides custom synthesis services for Pseudoecgonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.