(Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
TL;DR: (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide (CAS 556009-05-3) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
Also Known As: (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide, 2-cyano-3-[3-nitro-4-(pyrimidin-2-ylsulfanyl)phenyl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 5.00694 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1243.3638 |
Chemical Identifiers
| CAS Number | 556009-05-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)/C(=C\C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])/C#N)C |
Product Overview
(Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide (CAS 556009-05-3), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: (Z)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide.
Chemical Property Profile of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
Property Insights of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
The XLogP value of 5.00694 indicates that (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The CAS number of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is 556009-05-3.
What is the molecular formula of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The molecular formula of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is C23H19N5O3S.
What is the molecular weight of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The molecular weight of (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is 445.12 g/mol.
Where can I buy (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
You can request a quote for (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)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 (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-Cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.