2-(甲硫基)-3-吡啶醇乙酸酯
TL;DR: 2-(甲硫基)-3-吡啶醇乙酸酯 (CAS 42715-30-0) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(甲硫基)-3-吡啶醇乙酸酯
(2-methylsulfanyl-3-pyridinyl) acetate
Also Known As: 2- -3-pyridinolacetate, 3-Pyridinol, 2-(methylthio)-, acetate (ester), (2-methylsulfanylpyridin-3-yl) acetate, thiazolo<3,2-a>pyridinium 3-oxide, 2-(Methylsulfanyl)-3-pyridinyl acetate
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 42715-30-0 |
|---|---|
| SMILES | CC(=O)OC1=C(N=CC=C1)SC |
| InChIKey | ROICIIOLSQXXLP-UHFFFAOYSA-N |
Product Overview
2-(甲硫基)-3-吡啶醇乙酸酯 (CAS 42715-30-0), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: (2-methylsulfanyl-3-pyridinyl) acetate.
Chemical Property Profile of 2-(甲硫基)-3-吡啶醇乙酸酯
Property Insights of 2-(甲硫基)-3-吡啶醇乙酸酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(甲硫基)-3-吡啶醇乙酸酯. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(甲硫基)-3-吡啶醇乙酸酯. Following Lipinski's Rule of Five, 2-(甲硫基)-3-吡啶醇乙酸酯 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-(甲硫基)-3-吡啶醇乙酸酯?
The CAS number of 2-(甲硫基)-3-吡啶醇乙酸酯 is 42715-30-0.
What is the molecular formula of 2-(甲硫基)-3-吡啶醇乙酸酯?
The molecular formula of 2-(甲硫基)-3-吡啶醇乙酸酯 is C8H9NO2S.
What is the molecular weight of 2-(甲硫基)-3-吡啶醇乙酸酯?
The molecular weight of 2-(甲硫基)-3-吡啶醇乙酸酯 is 183.04 g/mol.
Where can I buy 2-(甲硫基)-3-吡啶醇乙酸酯?
You can request a quote for 2-(甲硫基)-3-吡啶醇乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(甲硫基)-3-吡啶醇乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(甲硫基)-3-吡啶醇乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.