![Trigonelline Hydrochloride [M+H]+ structure](/static/products/613/6138-40-5.png)
Trigonelline Hydrochloride [M+H]+
TL;DR: Trigonelline Hydrochloride [M+H]+ (CAS 6138-40-5) is a chemical compound with molecular formula C7H8ClNO2 and molecular weight 173.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyridin-1-ium-3-carboxylate;hydrochloride
Also Known As: Trigonelline hydrochloride, Trigonellinehydrochloride, Trigonelline Hydrochloride [M+H]+, N-Methylnicotinic acid betaine hydrochloride, 1-Methylpyridinium-3-carboxylate hydrochloride
| Molecular Formula | C7H8ClNO2 |
|---|---|
| Molecular Weight | 173.02 g/mol |
| LogP | -0.7036 |
| Topological Polar Surface Area | 44.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.02435 |
| Heavy Atoms | 11 |
| Complexity | 262.3724 |
Chemical Identifiers
| CAS Number | 6138-40-5 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)C(=O)[O-].Cl |
Product Overview
Trigonelline Hydrochloride [M+H]+ (CAS 6138-40-5), with molecular formula C7H8ClNO2 and molecular weight 173.02 g/mol. IUPAC: 1-methylpyridin-1-ium-3-carboxylate;hydrochloride.
Chemical Property Profile of Trigonelline Hydrochloride [M+H]+
Property Insights of Trigonelline Hydrochloride [M+H]+
The XLogP value of -0.7036 indicates that Trigonelline Hydrochloride [M+H]+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.01 Ų, Trigonelline Hydrochloride [M+H]+ exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trigonelline Hydrochloride [M+H]+ has 0 hydrogen bond donor(s) and 2 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 Trigonelline Hydrochloride [M+H]+?
The CAS number of Trigonelline Hydrochloride [M+H]+ is 6138-40-5.
What is the molecular formula of Trigonelline Hydrochloride [M+H]+?
The molecular formula of Trigonelline Hydrochloride [M+H]+ is C7H8ClNO2.
What is the molecular weight of Trigonelline Hydrochloride [M+H]+?
The molecular weight of Trigonelline Hydrochloride [M+H]+ is 173.02 g/mol.
Where can I buy Trigonelline Hydrochloride [M+H]+?
You can request a quote for Trigonelline Hydrochloride [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trigonelline Hydrochloride [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Trigonelline Hydrochloride [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.