3'-Nitrobutyrophenone
TL;DR: 3'-Nitrobutyrophenone (CAS 50766-86-4) 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-(3-nitrophenyl)butan-1-one
Also Known As: 3-Nitrobutyrophenone, 1-(3-nitrophenyl)butan-1-one, 1-(3-Nitrophenyl)-1-butanone, m-Nitrobutyrophenone, 3'-Nitrobutyrophenone
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 2.2 |
| 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 | 222.0 |
Chemical Identifiers
| CAS Number | 50766-86-4 |
|---|---|
| SMILES | CCCC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | HJLRYDBRORTQIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Nitrobutyrophenone (CAS 50766-86-4), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 1-(3-nitrophenyl)butan-1-one.
Chemical Property Profile of 3'-Nitrobutyrophenone
Property Insights of 3'-Nitrobutyrophenone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Nitrobutyrophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Nitrobutyrophenone. Following Lipinski's Rule of Five, 3'-Nitrobutyrophenone 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 3'-Nitrobutyrophenone?
The CAS number of 3'-Nitrobutyrophenone is 50766-86-4.
What is the molecular formula of 3'-Nitrobutyrophenone?
The molecular formula of 3'-Nitrobutyrophenone is C10H11NO3.
What is the molecular weight of 3'-Nitrobutyrophenone?
The molecular weight of 3'-Nitrobutyrophenone is 193.07 g/mol.
Where can I buy 3'-Nitrobutyrophenone?
You can request a quote for 3'-Nitrobutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Nitrobutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Nitrobutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.