![3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide structure](/static/products/3946/394694-98-5.webp)
3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
TL;DR: 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide (CAS 394694-98-5) is a chemical compound with molecular formula C12H8FN3O3S and molecular weight 293.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
Also Known As: 3-Fluoro-N'-((5-nitrothiophen-2-yl)methylene)benzohydrazide, 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide, 3-fluoro-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]benzohydrazide, 3-fluoro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
| Molecular Formula | C12H8FN3O3S |
|---|---|
| Molecular Weight | 293.03 g/mol |
| LogP | 2.5593 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.02704 |
| Heavy Atoms | 20 |
| Complexity | 684.092 |
Chemical Identifiers
| CAS Number | 394694-98-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] |
Product Overview
3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide (CAS 394694-98-5), with molecular formula C12H8FN3O3S and molecular weight 293.03 g/mol. IUPAC: 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide.
Chemical Property Profile of 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
Property Insights of 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
The XLogP value of 2.5593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide. Following Lipinski's Rule of Five, 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide has 1 hydrogen bond donor(s) and 5 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-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide?
The CAS number of 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide is 394694-98-5.
What is the molecular formula of 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide?
The molecular formula of 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide is C12H8FN3O3S.
What is the molecular weight of 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide?
The molecular weight of 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide is 293.03 g/mol.
Where can I buy 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide?
You can request a quote for 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.