![2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide structure](/static/products/6131/6131-27-7.webp)
2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
TL;DR: 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide (CAS 6131-27-7) is a chemical compound with molecular formula C16H13Cl3FN3OS and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
Also Known As: BIM-0008556.P001, N-{1-[(anilinocarbonothioyl)amino]-2,2,2-trichloroethyl}-2-fluorobenzamide, 2-fluoro-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide, 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide, N-{1-[(anilinocarbothioyl)amino]-2,2,2-trichloroethyl}-2-fluorobenzamide
| Molecular Formula | C16H13Cl3FN3OS |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | 4.2384 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.98288 |
| Heavy Atoms | 25 |
| Complexity | 755.7902 |
Chemical Identifiers
| CAS Number | 6131-27-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2F |
Product Overview
2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide (CAS 6131-27-7), with molecular formula C16H13Cl3FN3OS and molecular weight 418.98 g/mol. IUPAC: 2-fluoro-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide.
Chemical Property Profile of 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Property Insights of 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
The XLogP value of 4.2384 indicates that 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide has 3 hydrogen bond donor(s) and 2 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 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide?
The CAS number of 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide is 6131-27-7.
What is the molecular formula of 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide?
The molecular formula of 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide is C16H13Cl3FN3OS.
What is the molecular weight of 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide?
The molecular weight of 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide is 418.98 g/mol.
Where can I buy 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide?
You can request a quote for 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.