Gardenine
TL;DR: Gardenine (CAS 139682-36-3) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-2-oxa-10-azatricyclo[5.3.1.04,11]undeca-5,8-diene-8-carboxylate
Also Known As: Gardenine, HY-N3929, 4-(aminomethyl)-1-methylpiperidin-4-ol, 4CN-0197, methyl 4-hydroxy-2-oxa-10-azatricyclo[5.3.1.04,11]undeca-5,8-diene-8-carboxylate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 139682-36-3 |
|---|---|
| SMILES | COC(=O)C1=CNC2C3C1C=CC3(CO2)O |
| InChIKey | QIGMCZARMNNIKC-UHFFFAOYSA-N |
Product Overview
Gardenine (CAS 139682-36-3), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: methyl 4-hydroxy-2-oxa-10-azatricyclo[5.3.1.04,11]undeca-5,8-diene-8-carboxylate.
Chemical Property Profile of Gardenine
Property Insights of Gardenine
The XLogP value of -0.2 indicates that Gardenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Gardenine. Following Lipinski's Rule of Five, Gardenine has 2 hydrogen bond donor(s) and 5 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 Gardenine?
The CAS number of Gardenine is 139682-36-3.
What is the molecular formula of Gardenine?
The molecular formula of Gardenine is C11H13NO4.
What is the molecular weight of Gardenine?
The molecular weight of Gardenine is 223.08 g/mol.
Where can I buy Gardenine?
You can request a quote for Gardenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gardenine?
Yes, KEHONG BIO provides custom synthesis services for Gardenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.