![3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide structure](/static/products/4038/403847-11-0.webp)
3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide
TL;DR: 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide (CAS 403847-11-0) is a chemical compound with molecular formula C14H17Cl3N4O3S and molecular weight 426.01 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-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide
Also Known As: 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide, 3-methyl-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)butanamide, 3-Methyl-N-[2,2,2-trichloro-1-({[(3-nitrophenyl)amino]carbonothioyl}amino)ethyl]butanamide
| Molecular Formula | C14H17Cl3N4O3S |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 3.7398 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.0087 |
| Heavy Atoms | 25 |
| Complexity | 652.4543 |
Chemical Identifiers
| CAS Number | 403847-11-0 |
|---|---|
| SMILES | CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide (CAS 403847-11-0), with molecular formula C14H17Cl3N4O3S and molecular weight 426.01 g/mol. IUPAC: 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide.
Chemical Property Profile of 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide
Property Insights of 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide
The XLogP value of 3.7398 indicates that 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide. Following Lipinski's Rule of Five, 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide has 3 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 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide?
The CAS number of 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide is 403847-11-0.
What is the molecular formula of 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide?
The molecular formula of 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide is C14H17Cl3N4O3S.
What is the molecular weight of 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide?
The molecular weight of 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide is 426.01 g/mol.
Where can I buy 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide?
You can request a quote for 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)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-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.