1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one
TL;DR: 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one (CAS 2499-48-1) is a chemical compound with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one
Also Known As: 1-chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one, (3E,5E,7E)-1-chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one
| Molecular Formula | C14H12ClNO3 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.05057 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 2499-48-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC=CC=CC(=O)CCl)[N+](=O)[O-] |
| InChIKey | WJTUPHFKGOKHCU-UHFFFAOYSA-N |
Product Overview
1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one (CAS 2499-48-1), with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol. IUPAC: 1-chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one.
Chemical Property Profile of 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one
Property Insights of 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one
The XLogP value of 3.8 indicates that 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one 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 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one. Following Lipinski's Rule of Five, 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one 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 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one?
The CAS number of 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one is 2499-48-1.
What is the molecular formula of 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one?
The molecular formula of 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one is C14H12ClNO3.
What is the molecular weight of 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one?
The molecular weight of 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one is 277.05 g/mol.
Where can I buy 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one?
You can request a quote for 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-8-(4-nitrophenyl)octa-3,5,7-trien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.