![2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester structure](/static/products/119/119022-82-1.png)
2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester
TL;DR: 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester (CAS 119022-82-1) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetate
Also Known As: ethyl 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate, BIM-0016411.P001, ethyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate, 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester, ethyl 2-(6-amino-3,5-dicyanopyridin-2-ylthio)acetate
| Molecular Formula | C11H10N4O2S |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.05246 |
| Heavy Atoms | 18 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 119022-82-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N |
| InChIKey | XAWLFKGEPVBUIF-UHFFFAOYSA-N |
Product Overview
2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester (CAS 119022-82-1), with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol. IUPAC: ethyl 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester
Property Insights of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester. Following Lipinski's Rule of Five, 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester has 1 hydrogen bond donor(s) and 7 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-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester?
The CAS number of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester is 119022-82-1.
What is the molecular formula of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester?
The molecular formula of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester is C11H10N4O2S.
What is the molecular weight of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester?
The molecular weight of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester is 262.05 g/mol.
Where can I buy 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester?
You can request a quote for 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.