![Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate structure](/static/products/184/184530-24-3.png)
Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate
TL;DR: Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate (CAS 184530-24-3) is a chemical compound with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]acetate
Also Known As: AB00075382-01, Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate, benzyl [(6-amino-3,5-dicyano-4-ethylpyridin-2-yl)sulfanyl]acetate, benzyl 2-((6-amino-3,5-dicyano-4-ethylpyridin-2-yl)thio)acetate, benzyl 2-(6-amino-3,5-dicyano-4-ethylpyridin-2-yl)sulfanylacetate
| Molecular Formula | C18H16N4O2S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.80506 |
| Topological Polar Surface Area | 112.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.0994 |
| Heavy Atoms | 25 |
| Complexity | 854.1054 |
Chemical Identifiers
| CAS Number | 184530-24-3 |
|---|---|
| SMILES | CCC1=C(C(=NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2)N)C#N |
Product Overview
Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate (CAS 184530-24-3), with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol. IUPAC: benzyl 2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate
Property Insights of Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate
The XLogP value of 2.80506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate. The TPSA of 112.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate. Following Lipinski's Rule of Five, Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate 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 Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate?
The CAS number of Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate is 184530-24-3.
What is the molecular formula of Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate?
The molecular formula of Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate is C18H16N4O2S.
What is the molecular weight of Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate?
The molecular weight of Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate is 352.10 g/mol.
Where can I buy Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate?
You can request a quote for Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl [(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.