Urea, 1-(2-bromoethyl)-3-phenyl-
TL;DR: Urea, 1-(2-bromoethyl)-3-phenyl- (CAS 5157-48-2) is a chemical compound with molecular formula C9H11BrN2O and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethyl)-3-phenylurea
Also Known As: 1-(2-Bromoethyl)-3-phenylurea, 3-(2-Bromoethyl)-1-phenylurea, Urea, 1-(2-bromoethyl)-3-phenyl-, N-(2-bromoethyl)-N'-phenylurea, 1-(2-bromoethyl)-3-phenyl urea
| Molecular Formula | C9H11BrN2O |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.00548 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 5157-48-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NCCBr |
| InChIKey | JXTNSWBSWXAYBC-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-bromoethyl)-3-phenyl- (CAS 5157-48-2), with molecular formula C9H11BrN2O and molecular weight 242.01 g/mol. IUPAC: 1-(2-bromoethyl)-3-phenylurea.
Chemical Property Profile of Urea, 1-(2-bromoethyl)-3-phenyl-
Property Insights of Urea, 1-(2-bromoethyl)-3-phenyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-bromoethyl)-3-phenyl-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-(2-bromoethyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-bromoethyl)-3-phenyl- 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 Urea, 1-(2-bromoethyl)-3-phenyl-?
The CAS number of Urea, 1-(2-bromoethyl)-3-phenyl- is 5157-48-2.
What is the molecular formula of Urea, 1-(2-bromoethyl)-3-phenyl-?
The molecular formula of Urea, 1-(2-bromoethyl)-3-phenyl- is C9H11BrN2O.
What is the molecular weight of Urea, 1-(2-bromoethyl)-3-phenyl-?
The molecular weight of Urea, 1-(2-bromoethyl)-3-phenyl- is 242.01 g/mol.
Where can I buy Urea, 1-(2-bromoethyl)-3-phenyl-?
You can request a quote for Urea, 1-(2-bromoethyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-bromoethyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-bromoethyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.