![3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4284/428446-90-6.webp)
3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide (CAS 428446-90-6) is a chemical compound with molecular formula C14H9BrFN3O3S and molecular weight 396.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
Also Known As: 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide, (3-bromophenyl)-N-{[(2-fluoro-5-nitrophenyl)amino]thioxomethyl}carboxamide
| Molecular Formula | C14H9BrFN3O3S |
|---|---|
| Molecular Weight | 396.95 g/mol |
| LogP | 3.6232 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.9532 |
| Heavy Atoms | 23 |
| Complexity | 800.587 |
Chemical Identifiers
| CAS Number | 428446-90-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F |
Product Overview
3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide (CAS 428446-90-6), with molecular formula C14H9BrFN3O3S and molecular weight 396.95 g/mol. IUPAC: 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.6232 indicates that 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide has 2 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-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide is 428446-90-6.
What is the molecular formula of 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide is C14H9BrFN3O3S.
What is the molecular weight of 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide is 396.95 g/mol.
Where can I buy 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3-bromo-N-[(2-fluoro-5-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-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.