(2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid
TL;DR: (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid (CAS 1164510-02-4) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid
Also Known As: (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid, (2Z,4E)-3-Methyl-5-(4-nitro-phenyl)-penta-2,4-dienoic acid
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.6389 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 485.73203 |
Chemical Identifiers
| CAS Number | 1164510-02-4 |
|---|---|
| SMILES | C/C(=C/C(=O)O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
(2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid (CAS 1164510-02-4), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid.
Chemical Property Profile of (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid
Property Insights of (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid
The XLogP value of 2.6389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid. Following Lipinski's Rule of Five, (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid has 1 hydrogen bond donor(s) and 3 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 (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid?
The CAS number of (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid is 1164510-02-4.
What is the molecular formula of (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid?
The molecular formula of (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid is C12H11NO4.
What is the molecular weight of (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid?
The molecular weight of (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid is 233.07 g/mol.
Where can I buy (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid?
You can request a quote for (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z,4E)-3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.