Pyridinium, 3-benzoyl-1-methyl-
TL;DR: Pyridinium, 3-benzoyl-1-methyl- (CAS 38495-55-5) is a chemical compound with molecular formula C13H12NO+ and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyridin-1-ium-3-yl)-phenylmethanone
Also Known As: Pyridinium, 3-benzoyl-1-methyl-, 1-Methyl-3-benzoylpyridinium, 3-benzoyl-1-methylpyridinium, Pyridinium,3-benzoyl-1-methyl, C13H12NO+
| Molecular Formula | C13H12NO+ |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 21.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.09189 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 38495-55-5 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | QYRCSCQNZOBIFU-UHFFFAOYSA-N |
Product Overview
Pyridinium, 3-benzoyl-1-methyl- (CAS 38495-55-5), with molecular formula C13H12NO+ and molecular weight 198.09 g/mol. IUPAC: (1-methylpyridin-1-ium-3-yl)-phenylmethanone.
Chemical Property Profile of Pyridinium, 3-benzoyl-1-methyl-
Property Insights of Pyridinium, 3-benzoyl-1-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 3-benzoyl-1-methyl-. With a topological polar surface area (TPSA) of 21.0 Ų, Pyridinium, 3-benzoyl-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-benzoyl-1-methyl- has 0 hydrogen bond donor(s) and 1 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 Pyridinium, 3-benzoyl-1-methyl-?
The CAS number of Pyridinium, 3-benzoyl-1-methyl- is 38495-55-5.
What is the molecular formula of Pyridinium, 3-benzoyl-1-methyl-?
The molecular formula of Pyridinium, 3-benzoyl-1-methyl- is C13H12NO+.
What is the molecular weight of Pyridinium, 3-benzoyl-1-methyl-?
The molecular weight of Pyridinium, 3-benzoyl-1-methyl- is 198.09 g/mol.
Where can I buy Pyridinium, 3-benzoyl-1-methyl-?
You can request a quote for Pyridinium, 3-benzoyl-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-benzoyl-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-benzoyl-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.