![3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide structure](/static/products/4038/403847-05-2.webp)
3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide
TL;DR: 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide (CAS 403847-05-2) is a chemical compound with molecular formula C15H20Cl3N3OS and molecular weight 395.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide
Also Known As: 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide, 3-methyl-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)butanamide, 3-methyl-N-{2,2,2-trichloro-1-[(2-toluidinocarbothioyl)amino]ethyl}butanamide, 3-Methyl-N-[2,2,2-trichloro-1-({[(2-methylphenyl)amino]carbonothioyl}amino)ethyl]butanamide
| Molecular Formula | C15H20Cl3N3OS |
|---|---|
| Molecular Weight | 395.04 g/mol |
| LogP | 4.14002 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.03928 |
| Heavy Atoms | 23 |
| Complexity | 561.14325 |
Chemical Identifiers
| CAS Number | 403847-05-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC(C)C |
Product Overview
3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide (CAS 403847-05-2), with molecular formula C15H20Cl3N3OS and molecular weight 395.04 g/mol. IUPAC: 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide.
Chemical Property Profile of 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide
Property Insights of 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide
The XLogP value of 4.14002 indicates that 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide 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 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide?
The CAS number of 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide is 403847-05-2.
What is the molecular formula of 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide?
The molecular formula of 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide is C15H20Cl3N3OS.
What is the molecular weight of 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide?
The molecular weight of 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide is 395.04 g/mol.
Where can I buy 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide?
You can request a quote for 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]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-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.