4'-Nitro-5-phenyl-2,4-pentadienophenone
TL;DR: 4'-Nitro-5-phenyl-2,4-pentadienophenone (CAS 3587-96-0) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-5-phenylpenta-2,4-dien-1-one
Also Known As: 4'-NITRO-5-PHENYL-2,4-PENTADIENOPHENONE, 1-(4-nitrophenyl)-5-phenylpenta-2,4-dien-1-one
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 3587-96-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KPBBTVNQTLCPTB-UHFFFAOYSA-N |
Product Overview
4'-Nitro-5-phenyl-2,4-pentadienophenone (CAS 3587-96-0), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 1-(4-nitrophenyl)-5-phenylpenta-2,4-dien-1-one.
Chemical Property Profile of 4'-Nitro-5-phenyl-2,4-pentadienophenone
Property Insights of 4'-Nitro-5-phenyl-2,4-pentadienophenone
The XLogP value of 4.2 indicates that 4'-Nitro-5-phenyl-2,4-pentadienophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Nitro-5-phenyl-2,4-pentadienophenone. Following Lipinski's Rule of Five, 4'-Nitro-5-phenyl-2,4-pentadienophenone has 0 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 4'-Nitro-5-phenyl-2,4-pentadienophenone?
The CAS number of 4'-Nitro-5-phenyl-2,4-pentadienophenone is 3587-96-0.
What is the molecular formula of 4'-Nitro-5-phenyl-2,4-pentadienophenone?
The molecular formula of 4'-Nitro-5-phenyl-2,4-pentadienophenone is C17H13NO3.
What is the molecular weight of 4'-Nitro-5-phenyl-2,4-pentadienophenone?
The molecular weight of 4'-Nitro-5-phenyl-2,4-pentadienophenone is 279.09 g/mol.
Where can I buy 4'-Nitro-5-phenyl-2,4-pentadienophenone?
You can request a quote for 4'-Nitro-5-phenyl-2,4-pentadienophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Nitro-5-phenyl-2,4-pentadienophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Nitro-5-phenyl-2,4-pentadienophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.