![N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide structure](/static/products/6205/620564-50-3.webp)
N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide
TL;DR: N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide (CAS 620564-50-3) is a chemical compound with molecular formula C13H15Cl3N4O2S and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide
Also Known As: F1460-0474, N-(2,2,2-trichloro-1-{[(3-acetamidophenyl)carbamothioyl]amino}ethyl)acetamide, N-(3-(3-(1-acetamido-2,2,2-trichloroethyl)thioureido)phenyl)acetamide, N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide, N-{1-[3-(m-acetylaminophenyl)thioureido]-2,2,2-trichloroethyl}acetamide
| Molecular Formula | C13H15Cl3N4O2S |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 2.7638 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.99814 |
| Heavy Atoms | 23 |
| Complexity | 607.12756 |
Chemical Identifiers
| CAS Number | 620564-50-3 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C |
Product Overview
N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide (CAS 620564-50-3), with molecular formula C13H15Cl3N4O2S and molecular weight 396.00 g/mol. IUPAC: N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide.
Chemical Property Profile of N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide
Property Insights of N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide
The XLogP value of 2.7638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide. The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide. Following Lipinski's Rule of Five, N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide has 4 hydrogen bond donor(s) and 3 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-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide?
The CAS number of N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide is 620564-50-3.
What is the molecular formula of N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide?
The molecular formula of N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide is C13H15Cl3N4O2S.
What is the molecular weight of N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide?
The molecular weight of N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide is 396.00 g/mol.
Where can I buy N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide?
You can request a quote for N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.