![N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide structure](/static/products/5143/5143-41-9.webp)
N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide
TL;DR: N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide (CAS 5143-41-9) is a chemical compound with molecular formula C13H15Cl4N3OS and molecular weight 400.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]butanamide
Also Known As: N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide, N-(2,2,2-trichloro-1-{[(4-chloroanilino)carbothioyl]amino}ethyl)butanamide, N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]butanamide
| Molecular Formula | C13H15Cl4N3OS |
|---|---|
| Molecular Weight | 400.97 g/mol |
| LogP | 4.239 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.969 |
| Heavy Atoms | 22 |
| Complexity | 519.01166 |
Chemical Identifiers
| CAS Number | 5143-41-9 |
|---|---|
| SMILES | CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide (CAS 5143-41-9), with molecular formula C13H15Cl4N3OS and molecular weight 400.97 g/mol. IUPAC: N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]butanamide.
Chemical Property Profile of N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide
Property Insights of N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide
The XLogP value of 4.239 indicates that N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}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, N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}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 N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide?
The CAS number of N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide is 5143-41-9.
What is the molecular formula of N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide?
The molecular formula of N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide is C13H15Cl4N3OS.
What is the molecular weight of N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide?
The molecular weight of N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide is 400.97 g/mol.
Where can I buy N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide?
You can request a quote for N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,2-trichloro-1-{[(4-chlorophenyl)carbamothioyl]amino}ethyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.