4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
TL;DR: 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one (CAS 41564-63-0) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
Also Known As: 4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one, 1-Penten-3-one, 4,4-dimethyl-1-(4-nitrophenyl)-, (E)-, 2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-(quinolin-2-ylmetho
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 41564-63-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | UILQQNPNRHEZAP-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one (CAS 41564-63-0), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one.
Chemical Property Profile of 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
Property Insights of 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
The XLogP value of 3.3 indicates that 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-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 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one. Following Lipinski's Rule of Five, 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-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 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one?
The CAS number of 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one is 41564-63-0.
What is the molecular formula of 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one?
The molecular formula of 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one is C13H15NO3.
What is the molecular weight of 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one?
The molecular weight of 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one is 233.11 g/mol.
Where can I buy 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one?
You can request a quote for 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-1-(4-nitrophenyl)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.