![3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide structure](/static/products/3803/380307-45-9.webp)
3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide (CAS 380307-45-9) is a chemical compound with molecular formula C16H13BrFN3O4S and molecular weight 440.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
Also Known As: 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide, AB00108578-01, 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]benzamide
| Molecular Formula | C16H13BrFN3O4S |
|---|---|
| Molecular Weight | 440.98 g/mol |
| LogP | 4.0219 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.97943 |
| Heavy Atoms | 26 |
| Complexity | 878.56854 |
Chemical Identifiers
| CAS Number | 380307-45-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Br |
Product Overview
3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide (CAS 380307-45-9), with molecular formula C16H13BrFN3O4S and molecular weight 440.98 g/mol. IUPAC: 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 4.0219 indicates that 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide has 2 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-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide is 380307-45-9.
What is the molecular formula of 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide is C16H13BrFN3O4S.
What is the molecular weight of 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide is 440.98 g/mol.
Where can I buy 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.