Mecloralurea
TL;DR: Mecloralurea (CAS 1954-79-6) is a chemical compound with molecular formula C4H7Cl3N2O2 and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
Also Known As: Mecloralurea, Heraldium, ligerium, Mecloraluree, trichloroethylolmethylurea
| Molecular Formula | C4H7Cl3N2O2 |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.9573 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| Solubility | 33.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 1954-79-6 |
|---|---|
| SMILES | CNC(=O)NC(C(Cl)(Cl)Cl)O |
| InChIKey | BULMIDNYAWYAMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mecloralurea (CAS 1954-79-6), with molecular formula C4H7Cl3N2O2 and molecular weight 219.96 g/mol. IUPAC: 1-methyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea.
Chemical Property Profile of Mecloralurea
Property Insights of Mecloralurea
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mecloralurea. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Mecloralurea. Following Lipinski's Rule of Five, Mecloralurea 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 Mecloralurea?
The CAS number of Mecloralurea is 1954-79-6.
What is the molecular formula of Mecloralurea?
The molecular formula of Mecloralurea is C4H7Cl3N2O2.
What is the molecular weight of Mecloralurea?
The molecular weight of Mecloralurea is 219.96 g/mol.
Where can I buy Mecloralurea?
You can request a quote for Mecloralurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mecloralurea?
Yes, KEHONG BIO provides custom synthesis services for Mecloralurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.