Phenyl(pyridin-1-ium-1-yl)methanesulfonate
TL;DR: Phenyl(pyridin-1-ium-1-yl)methanesulfonate (CAS 83283-97-0) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(pyridin-1-ium-1-yl)methanesulfonate
Also Known As: starbld0006289, 1-[Phenyl(sulfonato)methyl]pyridin-1-ium, phenyl(pyridin-1-ium-1-yl)methanesulfonate, Phenyl-pyridin-1-yl-methanesulfonate
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 1.0662 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 542.16254 |
Chemical Identifiers
| CAS Number | 83283-97-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C([N+]2=CC=CC=C2)S(=O)(=O)[O-] |
Product Overview
Phenyl(pyridin-1-ium-1-yl)methanesulfonate (CAS 83283-97-0), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: phenyl(pyridin-1-ium-1-yl)methanesulfonate.
Chemical Property Profile of Phenyl(pyridin-1-ium-1-yl)methanesulfonate
Property Insights of Phenyl(pyridin-1-ium-1-yl)methanesulfonate
The XLogP value of 1.0662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(pyridin-1-ium-1-yl)methanesulfonate. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl(pyridin-1-ium-1-yl)methanesulfonate. Following Lipinski's Rule of Five, Phenyl(pyridin-1-ium-1-yl)methanesulfonate has 0 hydrogen bond donor(s) and 3 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 Phenyl(pyridin-1-ium-1-yl)methanesulfonate?
The CAS number of Phenyl(pyridin-1-ium-1-yl)methanesulfonate is 83283-97-0.
What is the molecular formula of Phenyl(pyridin-1-ium-1-yl)methanesulfonate?
The molecular formula of Phenyl(pyridin-1-ium-1-yl)methanesulfonate is C12H11NO3S.
What is the molecular weight of Phenyl(pyridin-1-ium-1-yl)methanesulfonate?
The molecular weight of Phenyl(pyridin-1-ium-1-yl)methanesulfonate is 249.05 g/mol.
Where can I buy Phenyl(pyridin-1-ium-1-yl)methanesulfonate?
You can request a quote for Phenyl(pyridin-1-ium-1-yl)methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(pyridin-1-ium-1-yl)methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(pyridin-1-ium-1-yl)methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.