![1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate structure](/static/products/445/445265-54-3.png)
1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate
TL;DR: 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate (CAS 445265-54-3) is a chemical compound with molecular formula C21H18N2O2S2 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
Also Known As: AM-807/12427013, 1-methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate, isopropyl 2-((3-cyano-4-phenyl-6-(thiophen-2-yl)pyridin-2-yl)thio)acetate, propan-2-yl {[3-cyano-4-phenyl-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate, propan-2-yl 2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate
| Molecular Formula | C21H18N2O2S2 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 5.39248 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.08096 |
| Heavy Atoms | 27 |
| Complexity | 961.84674 |
Chemical Identifiers
| CAS Number | 445265-54-3 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N |
Product Overview
1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate (CAS 445265-54-3), with molecular formula C21H18N2O2S2 and molecular weight 394.08 g/mol. IUPAC: propan-2-yl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate
Property Insights of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate
The XLogP value of 5.39248 indicates that 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate?
The CAS number of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate is 445265-54-3.
What is the molecular formula of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate?
The molecular formula of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate is C21H18N2O2S2.
What is the molecular weight of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate?
The molecular weight of 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate is 394.08 g/mol.
Where can I buy 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate?
You can request a quote for 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl [(3-cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.