![2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide structure](/static/products/3013/301359-49-9.webp)
2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide
TL;DR: 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide (CAS 301359-49-9) is a chemical compound with molecular formula C13H16Cl3N3OS and molecular weight 367.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]propanamide
Also Known As: BAS 00136641, AB01331876-02, 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide, N-[2,2,2-Trichloro-1-(3-phenyl-thioureido)-ethyl]-isobutyramide, Propanamide, 2-methyl-N-[2,2,2-trichloro-1-[[(phenylamino)thioxomethyl]amino]ethyl]-
| Molecular Formula | C13H16Cl3N3OS |
|---|---|
| Molecular Weight | 367.01 g/mol |
| LogP | 3.4415 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.00797 |
| Heavy Atoms | 21 |
| Complexity | 491.1849 |
Chemical Identifiers
| CAS Number | 301359-49-9 |
|---|---|
| SMILES | CC(C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1 |
Product Overview
2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide (CAS 301359-49-9), with molecular formula C13H16Cl3N3OS and molecular weight 367.01 g/mol. IUPAC: 2-methyl-N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]propanamide.
Chemical Property Profile of 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide
Property Insights of 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide
The XLogP value of 3.4415 indicates that 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide 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 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide?
The CAS number of 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide is 301359-49-9.
What is the molecular formula of 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide?
The molecular formula of 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide is C13H16Cl3N3OS.
What is the molecular weight of 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide?
The molecular weight of 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide is 367.01 g/mol.
Where can I buy 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide?
You can request a quote for 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.