2-(邻溴苯基)脲基甲酸乙酯
TL;DR: 2-(邻溴苯基)脲基甲酸乙酯 (CAS 71235-94-4) is a chemical compound with molecular formula C10H11BrN2O3 and molecular weight 286.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(邻溴苯基)脲基甲酸乙酯
ethyl N-(2-bromophenyl)-N-carbamoylcarbamate
Also Known As: Ethyl 2-(o-bromophenyl)allophanate, 2-(o-Bromophenyl)allophanic acid ethyl ester, 2-(2-Bromophenyl)allophanic acid ethyl ester, ethyl N-(2-bromophenyl)-N-carbamoylcarbamate, ALLOPHANIC ACID, 2-(o-BROMOPHENYL)-, ETHYL ESTER
| Molecular Formula | C10H11BrN2O3 |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.9953 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 71235-94-4 |
|---|---|
| SMILES | CCOC(=O)N(C1=CC=CC=C1Br)C(=O)N |
| InChIKey | BTPKCEPCEQYPJZ-UHFFFAOYSA-N |
Product Overview
2-(邻溴苯基)脲基甲酸乙酯 (CAS 71235-94-4), with molecular formula C10H11BrN2O3 and molecular weight 286.00 g/mol. IUPAC: ethyl N-(2-bromophenyl)-N-carbamoylcarbamate.
Chemical Property Profile of 2-(邻溴苯基)脲基甲酸乙酯
Property Insights of 2-(邻溴苯基)脲基甲酸乙酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(邻溴苯基)脲基甲酸乙酯. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(邻溴苯基)脲基甲酸乙酯. Following Lipinski's Rule of Five, 2-(邻溴苯基)脲基甲酸乙酯 has 1 hydrogen bond donor(s) and 3 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 2-(邻溴苯基)脲基甲酸乙酯?
The CAS number of 2-(邻溴苯基)脲基甲酸乙酯 is 71235-94-4.
What is the molecular formula of 2-(邻溴苯基)脲基甲酸乙酯?
The molecular formula of 2-(邻溴苯基)脲基甲酸乙酯 is C10H11BrN2O3.
What is the molecular weight of 2-(邻溴苯基)脲基甲酸乙酯?
The molecular weight of 2-(邻溴苯基)脲基甲酸乙酯 is 286.00 g/mol.
Where can I buy 2-(邻溴苯基)脲基甲酸乙酯?
You can request a quote for 2-(邻溴苯基)脲基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(邻溴苯基)脲基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(邻溴苯基)脲基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.