4-Formyl-1-methylpyridinium benzenesulphonate
TL;DR: 4-Formyl-1-methylpyridinium benzenesulphonate (CAS 82228-89-5) is a chemical compound with molecular formula C13H13NO4S and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonate;1-methylpyridin-1-ium-4-carbaldehyde
Also Known As: 4-Formyl-1-methylpyridin-1-ium benzenesulfonate, 4-Formyl-1-methylpyridinium benzenesulfonate, 4-Formyl-1-methyl-pyridinium benzenesulfonate, Cyclopentamethylenedimethylsilane, Pyridinium, 4-formyl-1-methyl-, benzenesulfonate
| Molecular Formula | C13H13NO4S |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 0.9143 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05652 |
| Heavy Atoms | 19 |
| Complexity | 621.45264 |
Chemical Identifiers
| CAS Number | 82228-89-5 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C=O.C1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
4-Formyl-1-methylpyridinium benzenesulphonate (CAS 82228-89-5), with molecular formula C13H13NO4S and molecular weight 279.06 g/mol. IUPAC: benzenesulfonate;1-methylpyridin-1-ium-4-carbaldehyde.
Chemical Property Profile of 4-Formyl-1-methylpyridinium benzenesulphonate
Property Insights of 4-Formyl-1-methylpyridinium benzenesulphonate
The XLogP value of 0.9143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-1-methylpyridinium benzenesulphonate. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formyl-1-methylpyridinium benzenesulphonate. Following Lipinski's Rule of Five, 4-Formyl-1-methylpyridinium benzenesulphonate has 0 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 4-Formyl-1-methylpyridinium benzenesulphonate?
The CAS number of 4-Formyl-1-methylpyridinium benzenesulphonate is 82228-89-5.
What is the molecular formula of 4-Formyl-1-methylpyridinium benzenesulphonate?
The molecular formula of 4-Formyl-1-methylpyridinium benzenesulphonate is C13H13NO4S.
What is the molecular weight of 4-Formyl-1-methylpyridinium benzenesulphonate?
The molecular weight of 4-Formyl-1-methylpyridinium benzenesulphonate is 279.06 g/mol.
Where can I buy 4-Formyl-1-methylpyridinium benzenesulphonate?
You can request a quote for 4-Formyl-1-methylpyridinium benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formyl-1-methylpyridinium benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-1-methylpyridinium benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.