![4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4256/425680-71-3.webp)
4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
TL;DR: 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide (CAS 425680-71-3) is a chemical compound with molecular formula C14H9F2N3O3S and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
Also Known As: 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide, AN-648/40681910, N-(4-fluorobenzoyl)-N'-{4-fluoro-3-nitrophenyl}thiourea, 1-(4-FLUORO-3-NITROPHENYL)-3-(4-FLUOROBENZOYL)THIOUREA
| Molecular Formula | C14H9F2N3O3S |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 2.9998 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.03326 |
| Heavy Atoms | 23 |
| Complexity | 781.337 |
Chemical Identifiers
| CAS Number | 425680-71-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])F |
Product Overview
4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide (CAS 425680-71-3), with molecular formula C14H9F2N3O3S and molecular weight 337.03 g/mol. IUPAC: 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
Property Insights of 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 2.9998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-fluoro-N-[(4-fluoro-3-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 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide is 425680-71-3.
What is the molecular formula of 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide is C14H9F2N3O3S.
What is the molecular weight of 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide is 337.03 g/mol.
Where can I buy 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 4-fluoro-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 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.