1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol
TL;DR: 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol (CAS 69062-63-1) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol
Also Known As: 1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol, 1-(1-oxidopyridin-6-yl)-2-phenylsulfanyl-ethanol, 1-(1-Oxo-1lambda~5~-pyridin-2-yl)-2-(phenylsulfanyl)ethan-1-ol
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 69062-63-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(C2=CC=CC=[N+]2[O-])O |
| InChIKey | DWJKPXUEFBGMBG-UHFFFAOYSA-N |
Product Overview
1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol (CAS 69062-63-1), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol.
Chemical Property Profile of 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol
Property Insights of 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol. Following Lipinski's Rule of Five, 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol has 1 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 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol?
The CAS number of 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol is 69062-63-1.
What is the molecular formula of 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol?
The molecular formula of 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol is C13H13NO2S.
What is the molecular weight of 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol?
The molecular weight of 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol is 247.07 g/mol.
Where can I buy 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol?
You can request a quote for 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.