![3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide structure](/static/products/3390/339012-53-2.webp)
3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
TL;DR: 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide (CAS 339012-53-2) is a chemical compound with molecular formula C15H10F3N3O4S and molecular weight 385.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
Also Known As: 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide, 3-nitro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide, A1559/0067938, (Z)-3-nitro-N'-(1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)butan-2-ylidene)benzohydrazide, 3-NITRO-N'-[(2Z)-1,1,1-TRIFLUORO-4-OXO-4-(THIOPHEN-2-YL)BUTAN-2-YLIDENE]BENZOHYDRAZIDE
| Molecular Formula | C15H10F3N3O4S |
|---|---|
| Molecular Weight | 385.03 g/mol |
| LogP | 3.5774 |
| Topological Polar Surface Area | 101.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.03442 |
| Heavy Atoms | 26 |
| Complexity | 863.2716 |
Chemical Identifiers
| CAS Number | 339012-53-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N/N=C(/CC(=O)C2=CC=CS2)\C(F)(F)F |
Product Overview
3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide (CAS 339012-53-2), with molecular formula C15H10F3N3O4S and molecular weight 385.03 g/mol. IUPAC: 3-nitro-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide.
Chemical Property Profile of 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
Property Insights of 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
The XLogP value of 3.5774 indicates that 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide. Following Lipinski's Rule of Five, 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide has 1 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 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
The CAS number of 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is 339012-53-2.
What is the molecular formula of 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
The molecular formula of 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is C15H10F3N3O4S.
What is the molecular weight of 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
The molecular weight of 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is 385.03 g/mol.
Where can I buy 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
You can request a quote for 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.