![3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide structure](/static/products/5649/5649-21-8.webp)
3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
TL;DR: 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide (CAS 5649-21-8) is a chemical compound with molecular formula C15H10BrF3N2O2S and molecular weight 417.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
Also Known As: 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide, A1569/0068388, 3-bromo-N'-[(2Z)-1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)butan-2-ylidene]benzohydrazide, 3-bromo-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
| Molecular Formula | C15H10BrF3N2O2S |
|---|---|
| Molecular Weight | 417.96 g/mol |
| LogP | 4.4317 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.95984 |
| Heavy Atoms | 24 |
| Complexity | 773.27637 |
Chemical Identifiers
| CAS Number | 5649-21-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)N/N=C(/CC(=O)C2=CC=CS2)\C(F)(F)F |
Product Overview
3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide (CAS 5649-21-8), with molecular formula C15H10BrF3N2O2S and molecular weight 417.96 g/mol. IUPAC: 3-bromo-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide.
Chemical Property Profile of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
Property Insights of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
The XLogP value of 4.4317 indicates that 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.53 Ų, 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide has 1 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-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
The CAS number of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is 5649-21-8.
What is the molecular formula of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
The molecular formula of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is C15H10BrF3N2O2S.
What is the molecular weight of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
The molecular weight of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide is 417.96 g/mol.
Where can I buy 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
You can request a quote for 3-bromo-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-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.