![4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide structure](/static/products/4285/428503-83-7.webp)
4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
TL;DR: 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide (CAS 428503-83-7) is a chemical compound with molecular formula C19H18ClF3N2OS and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide, 4-tert-butyl-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide, 1-(4-tert-butylbenzoyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C19H18ClF3N2OS |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 5.7831 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.07803 |
| Heavy Atoms | 27 |
| Complexity | 858.73895 |
Chemical Identifiers
| CAS Number | 428503-83-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide (CAS 428503-83-7), with molecular formula C19H18ClF3N2OS and molecular weight 414.08 g/mol. IUPAC: 4-tert-butyl-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Property Insights of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
The XLogP value of 5.7831 indicates that 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide?
The CAS number of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide is 428503-83-7.
What is the molecular formula of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide?
The molecular formula of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide is C19H18ClF3N2OS.
What is the molecular weight of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide?
The molecular weight of 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide is 414.08 g/mol.
Where can I buy 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide?
You can request a quote for 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]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-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.