Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-
TL;DR: Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- (CAS 107986-35-6) is a chemical compound with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromoanilino) 2,2-dimethylpropanoate
Also Known As: ISF 2715, (3-bromoanilino) 2,2-dimethylpropanoate, Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-, N-(3-bromophenyl)-O-pivaloylhydroxylamine, 1-[(3-Bromoanilino)oxy]-2,2-dimethylpropan-1-one
| Molecular Formula | C11H14BrNO2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.02078 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 107986-35-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)ONC1=CC(=CC=C1)Br |
| InChIKey | KCKABUUSUJEICL-UHFFFAOYSA-N |
Product Overview
Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- (CAS 107986-35-6), with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol. IUPAC: (3-bromoanilino) 2,2-dimethylpropanoate.
Chemical Property Profile of Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-
Property Insights of Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-
The XLogP value of 4.1 indicates that Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- 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 Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-?
The CAS number of Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- is 107986-35-6.
What is the molecular formula of Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-?
The molecular formula of Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- is C11H14BrNO2.
What is the molecular weight of Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-?
The molecular weight of Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- is 271.02 g/mol.
Where can I buy Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-?
You can request a quote for Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3-bromo-N-(2,2-dimethyl-1-oxopropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.