2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-
TL;DR: 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- (CAS 16616-39-0) is a chemical compound with molecular formula C15H9NO3 and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-3-phenylprop-2-yn-1-one
Also Known As: 1-(3-nitrophenyl)-3-phenylprop-2-yn-1-one, 1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one, m-Nitrobenzoylphenylacetylen, 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-, 1-(3-nitrophenyl)-3-phenyl-prop-2-yn-1-one
| Molecular Formula | C15H9NO3 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.05824 |
| Heavy Atoms | 19 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 16616-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | JODIUOIVYGKAJH-UHFFFAOYSA-N |
Product Overview
2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- (CAS 16616-39-0), with molecular formula C15H9NO3 and molecular weight 251.06 g/mol. IUPAC: 1-(3-nitrophenyl)-3-phenylprop-2-yn-1-one.
Chemical Property Profile of 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-
Property Insights of 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-
The XLogP value of 3.7 indicates that 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- 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 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-. Following Lipinski's Rule of Five, 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- 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 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-?
The CAS number of 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- is 16616-39-0.
What is the molecular formula of 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-?
The molecular formula of 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- is C15H9NO3.
What is the molecular weight of 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-?
The molecular weight of 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- is 251.06 g/mol.
Where can I buy 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-?
You can request a quote for 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-one, 1-(3-nitrophenyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.