![3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide structure](/static/products/4296/429636-75-9.webp)
3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
TL;DR: 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide (CAS 429636-75-9) is a chemical compound with molecular formula C13H15F3N2OS and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
Also Known As: 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide, 3-methyl-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}butanamide, N-(3-methylbutanoyl)-N'-[2-(trifluoromethyl)phenyl]thiourea, 3-methyl-N-({[2-(trifluoromethyl)phenyl]amino}carbonothioyl)butanamide
| Molecular Formula | C13H15F3N2OS |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.5645 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08572 |
| Heavy Atoms | 20 |
| Complexity | 500.6348 |
Chemical Identifiers
| CAS Number | 429636-75-9 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(F)(F)F |
Product Overview
3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide (CAS 429636-75-9), with molecular formula C13H15F3N2OS and molecular weight 304.09 g/mol. IUPAC: 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
Property Insights of 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
The XLogP value of 3.5645 indicates that 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide has 2 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 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide is 429636-75-9.
What is the molecular formula of 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide is C13H15F3N2OS.
What is the molecular weight of 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide is 304.09 g/mol.
Where can I buy 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.