芽子鹼
TL;DR: 芽子鹼 (CAS 481-37-8) 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.
芽子鹼
(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Also Known As: Ecgonine, 1-Ecgonine, (-)-Ecgonine, Ekgonin, DL-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 |
| Melting Point | 205 |
| Solubility | 178000 |
Chemical Identifiers
| CAS Number | 481-37-8 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O |
| InChIKey | PHMBVCPLDPDESM-FKSUSPILSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芽子鹼 (CAS 481-37-8), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid.
Chemical Property Profile of 芽子鹼
Property Insights of 芽子鹼
The XLogP value of -1.8 indicates that 芽子鹼 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 芽子鹼. Following Lipinski's Rule of Five, 芽子鹼 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 芽子鹼?
The CAS number of 芽子鹼 is 481-37-8.
What is the molecular formula of 芽子鹼?
The molecular formula of 芽子鹼 is C9H15NO3.
What is the molecular weight of 芽子鹼?
The molecular weight of 芽子鹼 is 185.11 g/mol.
Where can I buy 芽子鹼?
You can request a quote for 芽子鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芽子鹼?
Yes, KEHONG BIO provides custom synthesis services for 芽子鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.