1-(4'-Nitrophenyl)prop-2-yn-1-one
TL;DR: 1-(4'-Nitrophenyl)prop-2-yn-1-one (CAS 37176-75-3) is a chemical compound with molecular formula C9H5NO3 and molecular weight 175.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)prop-2-yn-1-one
Also Known As: NP-Pyo, 1-(4-nitrophenyl)prop-2-yn-1-one, 1-(4'-Nitrophenyl)prop-2-yn-1-one, Ethynyl 4-nitrophenyl ketone, 1-(4-nitrophenyl)-2-propyn-1-one
| Molecular Formula | C9H5NO3 |
|---|---|
| Molecular Weight | 175.03 g/mol |
| LogP | 1.4107 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.02695 |
| Heavy Atoms | 13 |
| Complexity | 386.316 |
Chemical Identifiers
| CAS Number | 37176-75-3 |
|---|---|
| SMILES | C#CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-(4'-Nitrophenyl)prop-2-yn-1-one (CAS 37176-75-3), with molecular formula C9H5NO3 and molecular weight 175.03 g/mol. IUPAC: 1-(4-nitrophenyl)prop-2-yn-1-one.
Chemical Property Profile of 1-(4'-Nitrophenyl)prop-2-yn-1-one
Property Insights of 1-(4'-Nitrophenyl)prop-2-yn-1-one
The XLogP value of 1.4107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4'-Nitrophenyl)prop-2-yn-1-one. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4'-Nitrophenyl)prop-2-yn-1-one. Following Lipinski's Rule of Five, 1-(4'-Nitrophenyl)prop-2-yn-1-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-(4'-Nitrophenyl)prop-2-yn-1-one?
The CAS number of 1-(4'-Nitrophenyl)prop-2-yn-1-one is 37176-75-3.
What is the molecular formula of 1-(4'-Nitrophenyl)prop-2-yn-1-one?
The molecular formula of 1-(4'-Nitrophenyl)prop-2-yn-1-one is C9H5NO3.
What is the molecular weight of 1-(4'-Nitrophenyl)prop-2-yn-1-one?
The molecular weight of 1-(4'-Nitrophenyl)prop-2-yn-1-one is 175.03 g/mol.
Where can I buy 1-(4'-Nitrophenyl)prop-2-yn-1-one?
You can request a quote for 1-(4'-Nitrophenyl)prop-2-yn-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4'-Nitrophenyl)prop-2-yn-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-Nitrophenyl)prop-2-yn-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.