2-氰基-1-甲基吡啶鎓甲磺酸盐
TL;DR: 2-氰基-1-甲基吡啶鎓甲磺酸盐 (CAS 62581-31-1) is a chemical compound with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基-1-甲基吡啶鎓甲磺酸盐
methanesulfonate;1-methylpyridin-1-ium-2-carbonitrile
Also Known As: 2-cyano-1-methylpyridinium methanesulfonate, N-Methylpyridinium-2-nitrile methanesulphonate, Pyridinium, 2-cyano-1-methyl-, methanesulfonate, 2-Cyano-1-methylpyridin-1-ium methanesulfonate, Pyridinium, N-methyl-, 2-nitrile methanesulphonate
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | -0.46 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 62581-31-1 |
|---|---|
| SMILES | C[N+]1=CC=CC=C1C#N.CS(=O)(=O)[O-] |
| InChIKey | SZOCTOZMEHQPMF-UHFFFAOYSA-M |
Product Overview
2-氰基-1-甲基吡啶鎓甲磺酸盐 (CAS 62581-31-1), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: methanesulfonate;1-methylpyridin-1-ium-2-carbonitrile.
Chemical Property Profile of 2-氰基-1-甲基吡啶鎓甲磺酸盐
Property Insights of 2-氰基-1-甲基吡啶鎓甲磺酸盐
The XLogP value of -0.46 indicates that 2-氰基-1-甲基吡啶鎓甲磺酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基-1-甲基吡啶鎓甲磺酸盐. Following Lipinski's Rule of Five, 2-氰基-1-甲基吡啶鎓甲磺酸盐 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 2-氰基-1-甲基吡啶鎓甲磺酸盐?
The CAS number of 2-氰基-1-甲基吡啶鎓甲磺酸盐 is 62581-31-1.
What is the molecular formula of 2-氰基-1-甲基吡啶鎓甲磺酸盐?
The molecular formula of 2-氰基-1-甲基吡啶鎓甲磺酸盐 is C8H10N2O3S.
What is the molecular weight of 2-氰基-1-甲基吡啶鎓甲磺酸盐?
The molecular weight of 2-氰基-1-甲基吡啶鎓甲磺酸盐 is 214.04 g/mol.
Where can I buy 2-氰基-1-甲基吡啶鎓甲磺酸盐?
You can request a quote for 2-氰基-1-甲基吡啶鎓甲磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基-1-甲基吡啶鎓甲磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-1-甲基吡啶鎓甲磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.