![4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide structure](/static/products/2946/294657-43-5.webp)
4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
TL;DR: 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide (CAS 294657-43-5) is a chemical compound with molecular formula C17H16Cl3N3OS and molecular weight 415.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
Also Known As: BAS 00103138, BIM-0009142.P001, 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide, 4-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide, 4-Methyl-N-[2,2,2-trichloro-1-(3-phenyl-thioureido)-ethyl]-benzamide
| Molecular Formula | C17H16Cl3N3OS |
|---|---|
| Molecular Weight | 415.01 g/mol |
| LogP | 4.40772 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.00797 |
| Heavy Atoms | 25 |
| Complexity | 733.05334 |
Chemical Identifiers
| CAS Number | 294657-43-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2 |
Product Overview
4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide (CAS 294657-43-5), with molecular formula C17H16Cl3N3OS and molecular weight 415.01 g/mol. IUPAC: 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide.
Chemical Property Profile of 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
Property Insights of 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
The XLogP value of 4.40772 indicates that 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide 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 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide?
The CAS number of 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide is 294657-43-5.
What is the molecular formula of 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide?
The molecular formula of 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide is C17H16Cl3N3OS.
What is the molecular weight of 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide?
The molecular weight of 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide is 415.01 g/mol.
Where can I buy 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide?
You can request a quote for 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.