4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate
TL;DR: 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate (CAS 332101-15-2) is a chemical compound with molecular formula C28H21N3O5S and molecular weight 511.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 01118054, 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate, (4-nitrophenyl) 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetate, 4-Nitrophenyl2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate, [3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-acetic acid 4-nitro-phenyl ester
| Molecular Formula | C28H21N3O5S |
|---|---|
| Molecular Weight | 511.12 g/mol |
| LogP | 6.29188 |
| Topological Polar Surface Area | 115.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.12018 |
| Heavy Atoms | 37 |
| Complexity | 1450.6454 |
Chemical Identifiers
| CAS Number | 332101-15-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate (CAS 332101-15-2), with molecular formula C28H21N3O5S and molecular weight 511.12 g/mol. IUPAC: (4-nitrophenyl) 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate
Property Insights of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate
The XLogP value of 6.29188 indicates that 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate?
The CAS number of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate is 332101-15-2.
What is the molecular formula of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate?
The molecular formula of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate is C28H21N3O5S.
What is the molecular weight of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate?
The molecular weight of 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate is 511.12 g/mol.
Where can I buy 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate?
You can request a quote for 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.