3-(4-Bromophenyl)-1,1-dimethylurea
TL;DR: 3-(4-Bromophenyl)-1,1-dimethylurea (CAS 3408-97-7) 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.
3-(4-bromophenyl)-1,1-dimethylurea
Also Known As: bromuron, 3-(4-bromophenyl)-1,1-dimethylurea, 1-(4-bromophenyl)-3,3-dimethylurea, N'-(4-BROMOPHENYL)-N,N-DIMETHYLUREA, Urea, N'-(4-bromophenyl)-N,N-dimethyl-
| Molecular Formula | C9H11BrN2O |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.00548 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 3408-97-7 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC=C(C=C1)Br |
| InChIKey | GSNZNZUNAJCHDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Bromophenyl)-1,1-dimethylurea (CAS 3408-97-7), with molecular formula C9H11BrN2O and molecular weight 242.01 g/mol. IUPAC: 3-(4-bromophenyl)-1,1-dimethylurea.
Chemical Property Profile of 3-(4-Bromophenyl)-1,1-dimethylurea
Property Insights of 3-(4-Bromophenyl)-1,1-dimethylurea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-1,1-dimethylurea. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(4-Bromophenyl)-1,1-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-1,1-dimethylurea has 1 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 3-(4-Bromophenyl)-1,1-dimethylurea?
The CAS number of 3-(4-Bromophenyl)-1,1-dimethylurea is 3408-97-7.
What is the molecular formula of 3-(4-Bromophenyl)-1,1-dimethylurea?
The molecular formula of 3-(4-Bromophenyl)-1,1-dimethylurea is C9H11BrN2O.
What is the molecular weight of 3-(4-Bromophenyl)-1,1-dimethylurea?
The molecular weight of 3-(4-Bromophenyl)-1,1-dimethylurea is 242.01 g/mol.
Where can I buy 3-(4-Bromophenyl)-1,1-dimethylurea?
You can request a quote for 3-(4-Bromophenyl)-1,1-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-1,1-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.