4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate
TL;DR: 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate (CAS 190125-98-5) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (E)-3-(4-tert-butylphenyl)prop-2-enoate
Also Known As: (E)-4-nitrophenyl 3-(4-(tert-butyl)phenyl)acrylate, (4-nitrophenyl) (E)-3-(4-tert-butylphenyl)prop-2-enoate, 3-(4-tert-Butyl-phenyl)-acrylic acid 4-nitro-phenyl ester, 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate, 4-nitrophenyl (2E)-3-[4-(tert-butyl)phenyl]prop-2-enoate
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 4.5111 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 753.449 |
Chemical Identifiers
| CAS Number | 190125-98-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate (CAS 190125-98-5), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: (4-nitrophenyl) (E)-3-(4-tert-butylphenyl)prop-2-enoate.
Chemical Property Profile of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate
Property Insights of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate
The XLogP value of 4.5111 indicates that 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate. Following Lipinski's Rule of Five, 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate?
The CAS number of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate is 190125-98-5.
What is the molecular formula of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate?
The molecular formula of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate is C19H19NO4.
What is the molecular weight of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate?
The molecular weight of 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate is 325.13 g/mol.
Where can I buy 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate?
You can request a quote for 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrophenyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.