1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
TL;DR: 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 96010-48-9) is a chemical compound with molecular formula C7H13Cl3N2O2 and molecular weight 262.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
Also Known As: 1-tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea, AB01330837-02, 1-TERT-BUTYL-3-(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)-UREA
| Molecular Formula | C7H13Cl3N2O2 |
|---|---|
| Molecular Weight | 262.00 g/mol |
| LogP | 1.7727 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.00427 |
| Heavy Atoms | 14 |
| Complexity | 209.96089 |
Chemical Identifiers
| CAS Number | 96010-48-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC(C(Cl)(Cl)Cl)O |
Product Overview
1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 96010-48-9), with molecular formula C7H13Cl3N2O2 and molecular weight 262.00 g/mol. IUPAC: 1-tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea.
Chemical Property Profile of 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
Property Insights of 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea
The XLogP value of 1.7727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(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 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea?
The CAS number of 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea is 96010-48-9.
What is the molecular formula of 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular formula of 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea is C7H13Cl3N2O2.
What is the molecular weight of 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular weight of 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea is 262.00 g/mol.
Where can I buy 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea?
You can request a quote for 1-Tert-butyl-3-(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-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(2,2,2-trichloro-1-hydroxyethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.