(E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid
TL;DR: (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid (CAS 85846-76-0) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid
Also Known As: 6-(4-nitro-phenyl)-4-oxo-hex-5-enoic acid, (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.0419 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 489.69415 |
Chemical Identifiers
| CAS Number | 85846-76-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)CCC(=O)O)[N+](=O)[O-] |
Product Overview
(E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid (CAS 85846-76-0), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid.
Chemical Property Profile of (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid
Property Insights of (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid
The XLogP value of 2.0419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid. Following Lipinski's Rule of Five, (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid has 1 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 (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid?
The CAS number of (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid is 85846-76-0.
What is the molecular formula of (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid?
The molecular formula of (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid is C12H11NO5.
What is the molecular weight of (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid?
The molecular weight of (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid is 249.06 g/mol.
Where can I buy (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid?
You can request a quote for (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(4-nitrophenyl)-4-oxohex-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.