![(E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide structure](/static/products/5661/566178-35-6.webp)
(E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide
TL;DR: (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide (CAS 566178-35-6) is a chemical compound with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide
Also Known As: (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide, (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-phenethylprop-2-enamide, 2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-phenethyl-prop-2-enamide, 2-cyano-3-{4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}-N-(2-phenylethyl)prop-2-enamide
| Molecular Formula | C25H21N3O3S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 5.3203 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.13037 |
| Heavy Atoms | 32 |
| Complexity | 1183.3041 |
Chemical Identifiers
| CAS Number | 566178-35-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide (CAS 566178-35-6), with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol. IUPAC: (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide
Property Insights of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide
The XLogP value of 5.3203 indicates that (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide?
The CAS number of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide is 566178-35-6.
What is the molecular formula of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide?
The molecular formula of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide is C25H21N3O3S.
What is the molecular weight of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide?
The molecular weight of (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide is 443.13 g/mol.
Where can I buy (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide?
You can request a quote for (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(2-phenylethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.