![3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide structure](/static/products/5544/554441-95-1.webp)
3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
TL;DR: 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide (CAS 554441-95-1) is a chemical compound with molecular formula C28H27N3O4 and molecular weight 469.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
Also Known As: 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide, (Z)-3-[4-(4-Tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
| Molecular Formula | C28H27N3O4 |
|---|---|
| Molecular Weight | 469.20 g/mol |
| LogP | 6.84712 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.20016 |
| Heavy Atoms | 35 |
| Complexity | 1344.0958 |
Chemical Identifiers
| CAS Number | 554441-95-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)/C(=C\C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-])/C#N |
Product Overview
3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide (CAS 554441-95-1), with molecular formula C28H27N3O4 and molecular weight 469.20 g/mol. IUPAC: (Z)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide.
Chemical Property Profile of 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
Property Insights of 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
The XLogP value of 6.84712 indicates that 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)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 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide?
The CAS number of 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide is 554441-95-1.
What is the molecular formula of 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide?
The molecular formula of 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide is C28H27N3O4.
What is the molecular weight of 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide?
The molecular weight of 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide is 469.20 g/mol.
Where can I buy 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide?
You can request a quote for 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)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 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.