Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate
TL;DR: Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate (CAS 444151-98-8) is a chemical compound with molecular formula C28H21N3O3S and molecular weight 479.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 00911130, Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate, methyl 4-[[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetyl]amino]benzoate, Methyl4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate, 4-[2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetylamino]-benzoic acid methyl ester
| Molecular Formula | C28H21N3O3S |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 5.80468 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.13037 |
| Heavy Atoms | 35 |
| Complexity | 1383.1339 |
Chemical Identifiers
| CAS Number | 444151-98-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N |
Product Overview
Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate (CAS 444151-98-8), with molecular formula C28H21N3O3S and molecular weight 479.13 g/mol. IUPAC: methyl 4-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate
Property Insights of Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate
The XLogP value of 5.80468 indicates that Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate has 1 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 Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate?
The CAS number of Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate is 444151-98-8.
What is the molecular formula of Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate?
The molecular formula of Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate is C28H21N3O3S.
What is the molecular weight of Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate?
The molecular weight of Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate is 479.13 g/mol.
Where can I buy Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate?
You can request a quote for Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.