4-Chloro-3-nitrophenyl 2-thienyl ketone
TL;DR: 4-Chloro-3-nitrophenyl 2-thienyl ketone (CAS 31431-18-2) is a chemical compound with molecular formula C11H6ClNO3S and molecular weight 266.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanone
Also Known As: 4-Chloro-3-nitrophenyl 2-thienyl ketone, (4-CHLORO-3-NITROPHENYL)-(2-THIENYL)METHANONE, (4-Chloro-3-nitrophenyl)(thiophen-2-yl)methanone, JSPY-st000019, EINECS 250-630-7
| Molecular Formula | C11H6ClNO3S |
|---|---|
| Molecular Weight | 266.98 g/mol |
| LogP | 3.5407 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.97568 |
| Heavy Atoms | 17 |
| Complexity | 580.4074 |
Chemical Identifiers
| CAS Number | 31431-18-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-Chloro-3-nitrophenyl 2-thienyl ketone (CAS 31431-18-2), with molecular formula C11H6ClNO3S and molecular weight 266.98 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-thiophen-2-ylmethanone.
Chemical Property Profile of 4-Chloro-3-nitrophenyl 2-thienyl ketone
Property Insights of 4-Chloro-3-nitrophenyl 2-thienyl ketone
The XLogP value of 3.5407 indicates that 4-Chloro-3-nitrophenyl 2-thienyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-nitrophenyl 2-thienyl ketone. Following Lipinski's Rule of Five, 4-Chloro-3-nitrophenyl 2-thienyl ketone has 0 hydrogen bond donor(s) and 4 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-Chloro-3-nitrophenyl 2-thienyl ketone?
The CAS number of 4-Chloro-3-nitrophenyl 2-thienyl ketone is 31431-18-2.
What is the molecular formula of 4-Chloro-3-nitrophenyl 2-thienyl ketone?
The molecular formula of 4-Chloro-3-nitrophenyl 2-thienyl ketone is C11H6ClNO3S.
What is the molecular weight of 4-Chloro-3-nitrophenyl 2-thienyl ketone?
The molecular weight of 4-Chloro-3-nitrophenyl 2-thienyl ketone is 266.98 g/mol.
Where can I buy 4-Chloro-3-nitrophenyl 2-thienyl ketone?
You can request a quote for 4-Chloro-3-nitrophenyl 2-thienyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-nitrophenyl 2-thienyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-nitrophenyl 2-thienyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.