1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one
TL;DR: 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one (CAS 133306-31-7) is a chemical compound with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-chloro-3-nitroquinolin-2-one
Also Known As: 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one, 1-BUTYL-4-CHLORO-3-NITROQUINOLIN-2-ONE, 2(1H)-Quinolinone, 1-butyl-4-chloro-3-nitro-, 1-butyl-4-chloro-3-nitro-quinolin-2-one, 1-Butyl-4-chloro-3-nitro-1H-quinolin-2-one
| Molecular Formula | C13H13ClN2O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 3.3632 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.06146 |
| Heavy Atoms | 19 |
| Complexity | 694.0832 |
Chemical Identifiers
| CAS Number | 133306-31-7 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl |
Product Overview
1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one (CAS 133306-31-7), with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol. IUPAC: 1-butyl-4-chloro-3-nitroquinolin-2-one.
Chemical Property Profile of 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one
Property Insights of 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one
The XLogP value of 3.3632 indicates that 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-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-Butyl-4-chloro-3-nitroquinolin-2(1H)-one?
The CAS number of 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one is 133306-31-7.
What is the molecular formula of 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one?
The molecular formula of 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one is C13H13ClN2O3.
What is the molecular weight of 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one?
The molecular weight of 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one is 280.06 g/mol.
Where can I buy 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one?
You can request a quote for 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-4-chloro-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.