N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide
TL;DR: N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide (CAS 301814-19-7) is a chemical compound with molecular formula C16H22Cl3N3OS and molecular weight 409.05 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-methylphenyl)carbamothioylamino]ethyl]hexanamide
Also Known As: BAS 00133517, N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide, Hexanoic acid [2,2,2-trichloro-1-(3-p-tolyl-thioureido)-ethyl]-amide, N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]hexanamide, HEXANOIC ACID (2,2,2-TRICHLORO-1-(3-P-TOLYL-THIOUREIDO)-ETHYL)-AMIDE
| Molecular Formula | C16H22Cl3N3OS |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 4.67422 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.05493 |
| Heavy Atoms | 24 |
| Complexity | 546.4938 |
Chemical Identifiers
| CAS Number | 301814-19-7 |
|---|---|
| SMILES | CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)C |
Product Overview
N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide (CAS 301814-19-7), with molecular formula C16H22Cl3N3OS and molecular weight 409.05 g/mol. IUPAC: N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]hexanamide.
Chemical Property Profile of N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide
Property Insights of N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide
The XLogP value of 4.67422 indicates that N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide 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-(3-(p-tolyl)thioureido)ethyl)hexanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide 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-(3-(p-tolyl)thioureido)ethyl)hexanamide?
The CAS number of N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide is 301814-19-7.
What is the molecular formula of N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide?
The molecular formula of N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide is C16H22Cl3N3OS.
What is the molecular weight of N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide?
The molecular weight of N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide is 409.05 g/mol.
Where can I buy N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide?
You can request a quote for N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide 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-(3-(p-tolyl)thioureido)ethyl)hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,2-Trichloro-1-(3-(p-tolyl)thioureido)ethyl)hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.