(2-Pyridin-4-yl-ethylsulfanyl)-acetic acid
TL;DR: (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid (CAS 247109-12-2) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-pyridin-4-ylethylsulfanyl)acetic acid
Also Known As: ChemDiv3_001411, (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid, 2-(2-pyridin-4-ylethylsulfanyl)acetic acid, BAS 00101107, {[2-(pyridin-4-yl)ethyl]sulfanyl}acetic acid
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.4419 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 263.57703 |
Chemical Identifiers
| CAS Number | 247109-12-2 |
|---|---|
| SMILES | C1=CN=CC=C1CCSCC(=O)O |
Product Overview
(2-Pyridin-4-yl-ethylsulfanyl)-acetic acid (CAS 247109-12-2), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: 2-(2-pyridin-4-ylethylsulfanyl)acetic acid.
Chemical Property Profile of (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid
Property Insights of (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid
The XLogP value of 1.4419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid. With a topological polar surface area (TPSA) of 50.19 Ų, (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid 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 (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid?
The CAS number of (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid is 247109-12-2.
What is the molecular formula of (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid?
The molecular formula of (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid is C9H11NO2S.
What is the molecular weight of (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid?
The molecular weight of (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid is 197.05 g/mol.
Where can I buy (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid?
You can request a quote for (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Pyridin-4-yl-ethylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.