4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene
TL;DR: 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene (CAS 13861-15-9) is a chemical compound with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea
Also Known As: tBCEU, phenylchloroethylurea, 4-tert-butylCEU, 1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea, N-[4-(tert-Butyl)phenyl]-N'-(2-chloroethyl)urea
| Molecular Formula | C13H19ClN2O |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.11859 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 13861-15-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCCl |
| InChIKey | LZYHJNCQMJNPKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene (CAS 13861-15-9), with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol. IUPAC: 1-(4-tert-butylphenyl)-3-(2-chloroethyl)urea.
Chemical Property Profile of 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene
Property Insights of 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene
The XLogP value of 3.5 indicates that 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene 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 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene?
The CAS number of 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene is 13861-15-9.
What is the molecular formula of 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene?
The molecular formula of 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene is C13H19ClN2O.
What is the molecular weight of 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene?
The molecular weight of 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene is 254.12 g/mol.
Where can I buy 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene?
You can request a quote for 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-(3-(2-chloroethyl)ureido)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.