1,4-Dihydrotrigonelline
TL;DR: 1,4-Dihydrotrigonelline (CAS 140201-08-7) is a chemical compound with molecular formula CN1C=CCC(=C1)C(=O)O and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4H-pyridine-3-carboxylic acid
Also Known As: 1,4-Dihydrotrigonelline, 1-methyl-4H-pyridine-3-carboxylic acid, 1-Methyl-1,4-dihydropyridine-3-carboxylic acid, 1,4-dihydro-N-methylnicotinic acid, 3-Pyridinecarboxylic acid, 1,4-dihydro-1-methyl-
| Molecular Formula | CN1C=CCC(=C1)C(=O)O |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 140201-08-7 |
|---|---|
| SMILES | CN1C=CCC(=C1)C(=O)O |
| InChIKey | BCFPLUJRJLEPGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dihydrotrigonelline (CAS 140201-08-7), with molecular formula CN1C=CCC(=C1)C(=O)O and molecular weight 139.06 g/mol. IUPAC: 1-methyl-4H-pyridine-3-carboxylic acid.
Chemical Property Profile of 1,4-Dihydrotrigonelline
Property Insights of 1,4-Dihydrotrigonelline
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydrotrigonelline. With a topological polar surface area (TPSA) of 40.5 Ų, 1,4-Dihydrotrigonelline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dihydrotrigonelline has 1 hydrogen bond donor(s) and 3 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 1,4-Dihydrotrigonelline?
The CAS number of 1,4-Dihydrotrigonelline is 140201-08-7.
What is the molecular formula of 1,4-Dihydrotrigonelline?
The molecular formula of 1,4-Dihydrotrigonelline is CN1C=CCC(=C1)C(=O)O.
What is the molecular weight of 1,4-Dihydrotrigonelline?
The molecular weight of 1,4-Dihydrotrigonelline is 139.06 g/mol.
Where can I buy 1,4-Dihydrotrigonelline?
You can request a quote for 1,4-Dihydrotrigonelline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydrotrigonelline?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydrotrigonelline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.