1-(4-Nitrophenyl)-1-butanone
TL;DR: 1-(4-Nitrophenyl)-1-butanone (CAS 3769-94-6) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)butan-1-one
Also Known As: 1-(4-Nitrophenyl)-1-butanone, 1-(4-nitrophenyl)butan-1-one, Butyrophenone, 4'-nitro-, 1-Butanone, 1-(4-nitrophenyl)-, RefChem:74533
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 3769-94-6 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YKLQCIOTHMYXQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitrophenyl)-1-butanone (CAS 3769-94-6), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 1-(4-nitrophenyl)butan-1-one.
Chemical Property Profile of 1-(4-Nitrophenyl)-1-butanone
Property Insights of 1-(4-Nitrophenyl)-1-butanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-1-butanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-1-butanone. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-1-butanone 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)-1-butanone?
The CAS number of 1-(4-Nitrophenyl)-1-butanone is 3769-94-6.
What is the molecular formula of 1-(4-Nitrophenyl)-1-butanone?
The molecular formula of 1-(4-Nitrophenyl)-1-butanone is C10H11NO3.
What is the molecular weight of 1-(4-Nitrophenyl)-1-butanone?
The molecular weight of 1-(4-Nitrophenyl)-1-butanone is 193.07 g/mol.
Where can I buy 1-(4-Nitrophenyl)-1-butanone?
You can request a quote for 1-(4-Nitrophenyl)-1-butanone 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)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.