(3-Nitrophenyl)-thiophen-2-ylmethanone
TL;DR: (3-Nitrophenyl)-thiophen-2-ylmethanone (CAS 7499-69-6) is a chemical compound with molecular formula C11H7NO3S and molecular weight 233.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-thiophen-2-ylmethanone
Also Known As: 3-(2-thenoyl)nitrobenzene, (3-nitrophenyl)-thiophen-2-ylmethanone, 3-nitrophenyl 2-thienyl ketone, (3-nitrophenyl)(thiophen-2-yl)methanone, 3-nitrophenyl thiophen-2-yl ketone
| Molecular Formula | C11H7NO3S |
|---|---|
| Molecular Weight | 233.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.01466 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 7499-69-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC=CS2 |
| InChIKey | KMSMPSLCVVLOQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Nitrophenyl)-thiophen-2-ylmethanone (CAS 7499-69-6), with molecular formula C11H7NO3S and molecular weight 233.01 g/mol. IUPAC: (3-nitrophenyl)-thiophen-2-ylmethanone.
Chemical Property Profile of (3-Nitrophenyl)-thiophen-2-ylmethanone
Property Insights of (3-Nitrophenyl)-thiophen-2-ylmethanone
The XLogP value of 3.1 indicates that (3-Nitrophenyl)-thiophen-2-ylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl)-thiophen-2-ylmethanone. Following Lipinski's Rule of Five, (3-Nitrophenyl)-thiophen-2-ylmethanone 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 (3-Nitrophenyl)-thiophen-2-ylmethanone?
The CAS number of (3-Nitrophenyl)-thiophen-2-ylmethanone is 7499-69-6.
What is the molecular formula of (3-Nitrophenyl)-thiophen-2-ylmethanone?
The molecular formula of (3-Nitrophenyl)-thiophen-2-ylmethanone is C11H7NO3S.
What is the molecular weight of (3-Nitrophenyl)-thiophen-2-ylmethanone?
The molecular weight of (3-Nitrophenyl)-thiophen-2-ylmethanone is 233.01 g/mol.
Where can I buy (3-Nitrophenyl)-thiophen-2-ylmethanone?
You can request a quote for (3-Nitrophenyl)-thiophen-2-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitrophenyl)-thiophen-2-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl)-thiophen-2-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.