![N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide structure](/static/products/7568/756859-06-0.webp)
N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide
TL;DR: N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide (CAS 756859-06-0) is a chemical compound with molecular formula C12H12BrN3O2 and molecular weight 309.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-cyanoacetamide
Also Known As: N-(4-Bromo-2-methylphenyl)-N~2~-(cyanoacetyl)glycinamide, N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide, N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-cyanoacetamide
| Molecular Formula | C12H12BrN3O2 |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 1.7259 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.0113 |
| Heavy Atoms | 18 |
| Complexity | 508.53424 |
Chemical Identifiers
| CAS Number | 756859-06-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CC#N |
Product Overview
N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide (CAS 756859-06-0), with molecular formula C12H12BrN3O2 and molecular weight 309.01 g/mol. IUPAC: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-cyanoacetamide.
Chemical Property Profile of N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide
Property Insights of N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide
The XLogP value of 1.7259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide. Following Lipinski's Rule of Five, N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide has 2 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 N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide?
The CAS number of N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide is 756859-06-0.
What is the molecular formula of N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide?
The molecular formula of N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide is C12H12BrN3O2.
What is the molecular weight of N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide?
The molecular weight of N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide is 309.01 g/mol.
Where can I buy N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide?
You can request a quote for N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[(4-Bromo-2-methylphenyl)amino]-2-oxoethyl]-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.