2-溴-2-硝基丁基苯基氨基甲酸酯
TL;DR: 2-溴-2-硝基丁基苯基氨基甲酸酯 (CAS 22527-72-6) is a chemical compound with molecular formula C11H13BrN2O4 and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴-2-硝基丁基苯基氨基甲酸酯
(2-bromo-2-nitrobutyl) N-phenylcarbamate
Also Known As: 2-Bromo-2-nitrobutyl phenylcarbamate, (2-bromo-2-nitrobutyl) N-phenylcarbamate, 2-bromo-2-nitrobutylphenylcarbamate, 2-Bromo-2-nitrobutyl=phenylcarbamate, 2-BROMO-2-NITROBUTYL N-PHENYLCARBAMATE
| Molecular Formula | C11H13BrN2O4 |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.00586 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 22527-72-6 |
|---|---|
| SMILES | CCC(COC(=O)NC1=CC=CC=C1)([N+](=O)[O-])Br |
| InChIKey | FOFZHBKHCDFOPR-UHFFFAOYSA-N |
Product Overview
2-溴-2-硝基丁基苯基氨基甲酸酯 (CAS 22527-72-6), with molecular formula C11H13BrN2O4 and molecular weight 316.01 g/mol. IUPAC: (2-bromo-2-nitrobutyl) N-phenylcarbamate.
Chemical Property Profile of 2-溴-2-硝基丁基苯基氨基甲酸酯
Property Insights of 2-溴-2-硝基丁基苯基氨基甲酸酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-溴-2-硝基丁基苯基氨基甲酸酯. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-溴-2-硝基丁基苯基氨基甲酸酯. Following Lipinski's Rule of Five, 2-溴-2-硝基丁基苯基氨基甲酸酯 has 1 hydrogen bond donor(s) and 4 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-溴-2-硝基丁基苯基氨基甲酸酯?
The CAS number of 2-溴-2-硝基丁基苯基氨基甲酸酯 is 22527-72-6.
What is the molecular formula of 2-溴-2-硝基丁基苯基氨基甲酸酯?
The molecular formula of 2-溴-2-硝基丁基苯基氨基甲酸酯 is C11H13BrN2O4.
What is the molecular weight of 2-溴-2-硝基丁基苯基氨基甲酸酯?
The molecular weight of 2-溴-2-硝基丁基苯基氨基甲酸酯 is 316.01 g/mol.
Where can I buy 2-溴-2-硝基丁基苯基氨基甲酸酯?
You can request a quote for 2-溴-2-硝基丁基苯基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴-2-硝基丁基苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-溴-2-硝基丁基苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.