N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
TL;DR: N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 104761-52-6) is a chemical compound with molecular formula C9H8Cl4N2O2 and molecular weight 315.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(2,2,2-trichloro-1-hydroxyethyl)urea
Also Known As: KST-1A9714, 1-(4-chlorophenyl)-3-(2,2,2-trichloro-1-hydroxyethyl)urea, N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea, 1-(4-chlorophenyl)-3-(2,2,2-trichloro-1-hydroxy-ethyl)urea
| Molecular Formula | C9H8Cl4N2O2 |
|---|---|
| Molecular Weight | 315.93 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.934 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 104761-52-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC(C(Cl)(Cl)Cl)O)Cl |
| InChIKey | VGJDCHRXONNPKT-UHFFFAOYSA-N |
Product Overview
N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 104761-52-6), with molecular formula C9H8Cl4N2O2 and molecular weight 315.93 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(2,2,2-trichloro-1-hydroxyethyl)urea.
Chemical Property Profile of N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
Property Insights of N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
The XLogP value of 3.4 indicates that N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea. Following Lipinski's Rule of Five, N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea 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-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
The CAS number of N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea is 104761-52-6.
What is the molecular formula of N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular formula of N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea is C9H8Cl4N2O2.
What is the molecular weight of N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular weight of N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea is 315.93 g/mol.
Where can I buy N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
You can request a quote for N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chlorophenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.