2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
TL;DR: 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide (CAS 708291-44-5) is a chemical compound with molecular formula C12H12BrClN2O2 and molecular weight 329.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
Also Known As: 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
| Molecular Formula | C12H12BrClN2O2 |
|---|---|
| Molecular Weight | 329.98 g/mol |
| LogP | 2.85338 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.97708 |
| Heavy Atoms | 18 |
| Complexity | 473.63547 |
Chemical Identifiers
| CAS Number | 708291-44-5 |
|---|---|
| SMILES | CN(CCC#N)C(=O)COC1=C(C=C(C=C1)Br)Cl |
Product Overview
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide (CAS 708291-44-5), with molecular formula C12H12BrClN2O2 and molecular weight 329.98 g/mol. IUPAC: 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide.
Chemical Property Profile of 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
Property Insights of 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
The XLogP value of 2.85338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide. With a topological polar surface area (TPSA) of 53.33 Ų, 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide has 0 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-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
The CAS number of 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide is 708291-44-5.
What is the molecular formula of 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
The molecular formula of 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide is C12H12BrClN2O2.
What is the molecular weight of 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
The molecular weight of 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide is 329.98 g/mol.
Where can I buy 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
You can request a quote for 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.