1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
TL;DR: 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 116-52-9) is a chemical compound with molecular formula C5H6Cl6N2O3 and molecular weight 351.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2,2,2-trichloro-1-hydroxyethyl)urea
Also Known As: Dicloralurea, Dichloralurea, Crag herbicide 2, Dichloraluree, Dicloraluree
| Molecular Formula | C5H6Cl6N2O3 |
|---|---|
| Molecular Weight | 351.85 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.84802 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
| Melting Point | 196 °C |
| Density | 1.63 at 25 °C |
| Solubility | 0.0074 PPM SOL IN WATER @ 25 °C |
Chemical Identifiers
| CAS Number | 116-52-9 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)(NC(=O)NC(C(Cl)(Cl)Cl)O)O |
| InChIKey | PPJXIHLNYDVTDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 116-52-9), with molecular formula C5H6Cl6N2O3 and molecular weight 351.85 g/mol. IUPAC: 1,3-bis(2,2,2-trichloro-1-hydroxyethyl)urea.
Chemical Property Profile of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
Property Insights of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea. Following Lipinski's Rule of Five, 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea 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 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
The CAS number of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is 116-52-9.
What is the molecular formula of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular formula of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is C5H6Cl6N2O3.
What is the molecular weight of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular weight of 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea is 351.85 g/mol.
Where can I buy 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
You can request a quote for 1,3-Bis(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 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.