1-Tert-butyl-3-(4-chlorophenyl)urea
TL;DR: 1-Tert-butyl-3-(4-chlorophenyl)urea (CAS 53414-33-8) is a chemical compound with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(4-chlorophenyl)urea
Also Known As: Maybridge4_003744, 1-tert-butyl-3-(4-chlorophenyl)urea, 1-(tert-Butyl)-3-(4-chlorophenyl)urea, N-(tert-butyl)-N'-(4-chlorophenyl)urea, 3-tert-butyl-1-(4-chlorophenyl)urea
| Molecular Formula | C11H15ClN2O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.0873 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 53414-33-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | CEFKBUCTZZRAFZ-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-3-(4-chlorophenyl)urea (CAS 53414-33-8), with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol. IUPAC: 1-tert-butyl-3-(4-chlorophenyl)urea.
Chemical Property Profile of 1-Tert-butyl-3-(4-chlorophenyl)urea
Property Insights of 1-Tert-butyl-3-(4-chlorophenyl)urea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-(4-chlorophenyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Tert-butyl-3-(4-chlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(4-chlorophenyl)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-(4-chlorophenyl)urea?
The CAS number of 1-Tert-butyl-3-(4-chlorophenyl)urea is 53414-33-8.
What is the molecular formula of 1-Tert-butyl-3-(4-chlorophenyl)urea?
The molecular formula of 1-Tert-butyl-3-(4-chlorophenyl)urea is C11H15ClN2O.
What is the molecular weight of 1-Tert-butyl-3-(4-chlorophenyl)urea?
The molecular weight of 1-Tert-butyl-3-(4-chlorophenyl)urea is 226.09 g/mol.
Where can I buy 1-Tert-butyl-3-(4-chlorophenyl)urea?
You can request a quote for 1-Tert-butyl-3-(4-chlorophenyl)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-(4-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(4-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.