N-(4-bromo-2-methylphenyl)-3-oxobutanamide
TL;DR: N-(4-bromo-2-methylphenyl)-3-oxobutanamide (CAS 23939-48-2) is a chemical compound with molecular formula C11H12BrNO2 and molecular weight 269.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-3-oxobutanamide
Also Known As: N-(4-bromo-2-methylphenyl)-3-oxobutanamide, Butanamide, N-(4-bromo-2-methylphenyl)-3-oxo-, N-[4-Bromo-2-methylphenyl]-acetoacetamide, Butanamide,N-(4-bromo-2-methylphenyl)-3-oxo, N-(4-bromo-2-methyl-phenyl)-3-oxo-butanamide
| Molecular Formula | C11H12BrNO2 |
|---|---|
| Molecular Weight | 269.01 g/mol |
| LogP | 2.67512 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.00513 |
| Heavy Atoms | 15 |
| Complexity | 401.57443 |
Chemical Identifiers
| CAS Number | 23939-48-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CC(=O)C |
Product Overview
N-(4-bromo-2-methylphenyl)-3-oxobutanamide (CAS 23939-48-2), with molecular formula C11H12BrNO2 and molecular weight 269.01 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-3-oxobutanamide.
Chemical Property Profile of N-(4-bromo-2-methylphenyl)-3-oxobutanamide
Property Insights of N-(4-bromo-2-methylphenyl)-3-oxobutanamide
The XLogP value of 2.67512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-bromo-2-methylphenyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-(4-bromo-2-methylphenyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-2-methylphenyl)-3-oxobutanamide has 1 hydrogen bond donor(s) and 2 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-(4-bromo-2-methylphenyl)-3-oxobutanamide?
The CAS number of N-(4-bromo-2-methylphenyl)-3-oxobutanamide is 23939-48-2.
What is the molecular formula of N-(4-bromo-2-methylphenyl)-3-oxobutanamide?
The molecular formula of N-(4-bromo-2-methylphenyl)-3-oxobutanamide is C11H12BrNO2.
What is the molecular weight of N-(4-bromo-2-methylphenyl)-3-oxobutanamide?
The molecular weight of N-(4-bromo-2-methylphenyl)-3-oxobutanamide is 269.01 g/mol.
Where can I buy N-(4-bromo-2-methylphenyl)-3-oxobutanamide?
You can request a quote for N-(4-bromo-2-methylphenyl)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-2-methylphenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-methylphenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.