1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
TL;DR: 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one (CAS 42456-75-7) is a chemical compound with molecular formula C6H4ClNO3S and molecular weight 204.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-4-nitrothiophen-2-yl)ethanone
Also Known As: 1-(5-chloro-4-nitrothiophen-2-yl)ethanone, 1-(5-chloro-4-nitrothiophen-2-yl)ethan-1-one, 1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE, 2-chloro-3-nitro-5-acetylthiophene, 5-acetyl-2-chloro-3-nitrothiophene
| Molecular Formula | C6H4ClNO3S |
|---|---|
| Molecular Weight | 204.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.96004 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 42456-75-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-] |
| InChIKey | HHHNIUPEIAJYKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one (CAS 42456-75-7), with molecular formula C6H4ClNO3S and molecular weight 204.96 g/mol. IUPAC: 1-(5-chloro-4-nitrothiophen-2-yl)ethanone.
Chemical Property Profile of 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
Property Insights of 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one. Following Lipinski's Rule of Five, 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one 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 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one?
The CAS number of 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one is 42456-75-7.
What is the molecular formula of 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one?
The molecular formula of 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one is C6H4ClNO3S.
What is the molecular weight of 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one?
The molecular weight of 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one is 204.96 g/mol.
Where can I buy 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one?
You can request a quote for 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.