Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester
TL;DR: Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester (CAS 90483-69-5) is a chemical compound with molecular formula C9H5Cl3N2OS and molecular weight 293.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2,2,2-trichloroacetyl)amino]phenyl] thiocyanate
Also Known As: 4-[(trichloroacetyl)amino]phenyl thiocyanate, [4-[(2,2,2-trichloroacetyl)amino]phenyl] thiocyanate, Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester, 4-(2,2,2-Trichloroacetamido)phenyl thiocyanate, 2,2,2-trichloro-N-(4-thiocyanatophenyl)acetamide
| Molecular Formula | C9H5Cl3N2OS |
|---|---|
| Molecular Weight | 293.92 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.91882 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 90483-69-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C(Cl)(Cl)Cl)SC#N |
| InChIKey | KXLDJGDOFZOXQF-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester (CAS 90483-69-5), with molecular formula C9H5Cl3N2OS and molecular weight 293.92 g/mol. IUPAC: [4-[(2,2,2-trichloroacetyl)amino]phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester
Property Insights of Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester
The XLogP value of 3.5 indicates that Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester has 1 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 Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester?
The CAS number of Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester is 90483-69-5.
What is the molecular formula of Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester?
The molecular formula of Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester is C9H5Cl3N2OS.
What is the molecular weight of Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester?
The molecular weight of Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester is 293.92 g/mol.
Where can I buy Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester?
You can request a quote for Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.