![Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate structure](/static/products/925/92565-36-1.png)
Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate
TL;DR: Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate (CAS 92565-36-1) is a chemical compound with molecular formula C10H9NO5S and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate
Also Known As: methyl (2Z)-2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutan, methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate
| Molecular Formula | C10H9NO5S |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.02014 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 92565-36-1 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=C(S1)[N+](=O)[O-])C(=O)OC |
| InChIKey | XWGZPFWMQIEBFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate (CAS 92565-36-1), with molecular formula C10H9NO5S and molecular weight 255.02 g/mol. IUPAC: methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate.
Chemical Property Profile of Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate
Property Insights of Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate?
The CAS number of Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate is 92565-36-1.
What is the molecular formula of Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate?
The molecular formula of Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate is C10H9NO5S.
What is the molecular weight of Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate?
The molecular weight of Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate is 255.02 g/mol.
Where can I buy Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate?
You can request a quote for Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.