Genipinine
TL;DR: Genipinine (CAS 139682-15-8) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(hydroxymethyl)-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
Also Known As: Genipinine, methyl 7-(hydroxymethyl)-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate, 1H-2-Pyrindine-4-carboxylic acid, 2,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (2aS-(2aalpha,4aalpha,7aalpha,7balpha))-, RefChem:142878
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 139682-15-8 |
|---|---|
| SMILES | COC(=O)C1=CNCC2C1CC=C2CO |
| InChIKey | XYHSTXNREBMIPY-UHFFFAOYSA-N |
Product Overview
Genipinine (CAS 139682-15-8), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: methyl 7-(hydroxymethyl)-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate.
Chemical Property Profile of Genipinine
Property Insights of Genipinine
The XLogP value of -0.2 indicates that Genipinine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, Genipinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Genipinine 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 Genipinine?
The CAS number of Genipinine is 139682-15-8.
What is the molecular formula of Genipinine?
The molecular formula of Genipinine is C11H15NO3.
What is the molecular weight of Genipinine?
The molecular weight of Genipinine is 209.11 g/mol.
Where can I buy Genipinine?
You can request a quote for Genipinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Genipinine?
Yes, KEHONG BIO provides custom synthesis services for Genipinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.