ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate (CAS 848062-87-3) is a chemical compound with molecular formula C28H24N4O6S and molecular weight 544.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[3-cyano-4-(furan-2-yl)-5-(furan-2-ylmethylcarbamoyl)-6-methyl-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[3-cyano-4-(furan-2-yl)-5-(furan-2-ylmethylcarbamoyl)-6-methylpyridin-2-yl]sulfanylacetyl]amino]benzoate, ethyl 4-{[({3-cyano-4-(furan-2-yl)-5-[(furan-2-ylmethyl)carbamoyl]-6-methylpyridin-2-yl}sulfanyl)acetyl]amino}benzoate
| Molecular Formula | C28H24N4O6S |
|---|---|
| Molecular Weight | 544.14 g/mol |
| LogP | 4.9522 |
| Topological Polar Surface Area | 147.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.14166 |
| Heavy Atoms | 39 |
| Complexity | 1507.126 |
Chemical Identifiers
| CAS Number | 848062-87-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C3=CC=CO3)C(=O)NCC4=CC=CO4)C |
Product Overview
ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate (CAS 848062-87-3), with molecular formula C28H24N4O6S and molecular weight 544.14 g/mol. IUPAC: ethyl 4-[[2-[[3-cyano-4-(furan-2-yl)-5-(furan-2-ylmethylcarbamoyl)-6-methyl-2-pyridinyl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate
The XLogP value of 4.9522 indicates that ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.46 Ų indicates high polarity, suggesting ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate is 848062-87-3.
What is the molecular formula of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate is C28H24N4O6S.
What is the molecular weight of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate is 544.14 g/mol.
Where can I buy ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-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 ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((3-cyano-4-(furan-2-yl)-5-((furan-2-ylmethyl)carbamoyl)-6-methylpyridin-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.