2-Chloro-1-methylpyridinium toluene-p-sulphonate
TL;DR: 2-Chloro-1-methylpyridinium toluene-p-sulphonate (CAS 7403-46-5) is a chemical compound with molecular formula C13H15ClNO3S+ and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-methylpyridin-1-ium;4-methylbenzenesulfonic acid
Also Known As: EINECS 231-008-4, 2-Chloro-1-methylpyridinium toluene-p-sulphonate, 2-chloro-1-methylpyridin-1-ium; 4-methylbenzenesulfonic acid
| Molecular Formula | C13H15ClNO3S+ |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.40622 |
| Topological Polar Surface Area | 58.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.0461 |
| Heavy Atoms | 19 |
| Complexity | 618.1928 |
Chemical Identifiers
| CAS Number | 7403-46-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=CC=C1Cl |
Product Overview
2-Chloro-1-methylpyridinium toluene-p-sulphonate (CAS 7403-46-5), with molecular formula C13H15ClNO3S+ and molecular weight 300.05 g/mol. IUPAC: 2-chloro-1-methylpyridin-1-ium;4-methylbenzenesulfonic acid.
Chemical Property Profile of 2-Chloro-1-methylpyridinium toluene-p-sulphonate
Property Insights of 2-Chloro-1-methylpyridinium toluene-p-sulphonate
The XLogP value of 2.40622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-methylpyridinium toluene-p-sulphonate. With a topological polar surface area (TPSA) of 58.25 Ų, 2-Chloro-1-methylpyridinium toluene-p-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-methylpyridinium toluene-p-sulphonate has 1 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 2-Chloro-1-methylpyridinium toluene-p-sulphonate?
The CAS number of 2-Chloro-1-methylpyridinium toluene-p-sulphonate is 7403-46-5.
What is the molecular formula of 2-Chloro-1-methylpyridinium toluene-p-sulphonate?
The molecular formula of 2-Chloro-1-methylpyridinium toluene-p-sulphonate is C13H15ClNO3S+.
What is the molecular weight of 2-Chloro-1-methylpyridinium toluene-p-sulphonate?
The molecular weight of 2-Chloro-1-methylpyridinium toluene-p-sulphonate is 300.05 g/mol.
Where can I buy 2-Chloro-1-methylpyridinium toluene-p-sulphonate?
You can request a quote for 2-Chloro-1-methylpyridinium toluene-p-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-methylpyridinium toluene-p-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-methylpyridinium toluene-p-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.