1-Tert-butyl-3-(2-chloroethyl)urea
TL;DR: 1-Tert-butyl-3-(2-chloroethyl)urea (CAS 13909-15-4) is a chemical compound with molecular formula C7H15ClN2O and molecular weight 178.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(2-chloroethyl)urea
Also Known As: 1-tert-butyl-3-(2-chloroethyl)urea, Urea, N-(2-chloroethyl)-N'-(1,1-dimethylethyl)-, N-tert-Butyl-N'-(2-chloroethyl)urea, 1-(tert-butyl)-3-(2-chloroethyl)urea, n-(tert-butyl)-n'-(2-chloroethyl)urea
| Molecular Formula | C7H15ClN2O |
|---|---|
| Molecular Weight | 178.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.0873 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 13909-15-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NCCCl |
| InChIKey | GKCWAQWESJZYIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Tert-butyl-3-(2-chloroethyl)urea (CAS 13909-15-4), with molecular formula C7H15ClN2O and molecular weight 178.09 g/mol. IUPAC: 1-tert-butyl-3-(2-chloroethyl)urea.
Chemical Property Profile of 1-Tert-butyl-3-(2-chloroethyl)urea
Property Insights of 1-Tert-butyl-3-(2-chloroethyl)urea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(2-chloroethyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Tert-butyl-3-(2-chloroethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(2-chloroethyl)urea has 2 hydrogen bond donor(s) and 1 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-chloroethyl)urea?
The CAS number of 1-Tert-butyl-3-(2-chloroethyl)urea is 13909-15-4.
What is the molecular formula of 1-Tert-butyl-3-(2-chloroethyl)urea?
The molecular formula of 1-Tert-butyl-3-(2-chloroethyl)urea is C7H15ClN2O.
What is the molecular weight of 1-Tert-butyl-3-(2-chloroethyl)urea?
The molecular weight of 1-Tert-butyl-3-(2-chloroethyl)urea is 178.09 g/mol.
Where can I buy 1-Tert-butyl-3-(2-chloroethyl)urea?
You can request a quote for 1-Tert-butyl-3-(2-chloroethyl)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-chloroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(2-chloroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.