4-Bromo-4'-methoxyacetoacetanilide
TL;DR: 4-Bromo-4'-methoxyacetoacetanilide (CAS 20335-27-7) is a chemical compound with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(4-methoxyphenyl)-3-oxobutanamide
Also Known As: 4-Bromo-4'-methoxyacetoacetanilide, 4-Bromo-4 -methoxyacetoacetanilide, 4-Bromo-N-(4-methoxyphenyl)-3-oxobutanamide, Butanamide, 4-bromo-N-(4-methoxyphenyl)-3-oxo-, J1.426.166D
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 20335-27-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CC(=O)CBr |
| InChIKey | URSFPJFWRCLFRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-4'-methoxyacetoacetanilide (CAS 20335-27-7), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: 4-bromo-N-(4-methoxyphenyl)-3-oxobutanamide.
Chemical Property Profile of 4-Bromo-4'-methoxyacetoacetanilide
Property Insights of 4-Bromo-4'-methoxyacetoacetanilide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-4'-methoxyacetoacetanilide. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Bromo-4'-methoxyacetoacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-4'-methoxyacetoacetanilide 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 4-Bromo-4'-methoxyacetoacetanilide?
The CAS number of 4-Bromo-4'-methoxyacetoacetanilide is 20335-27-7.
What is the molecular formula of 4-Bromo-4'-methoxyacetoacetanilide?
The molecular formula of 4-Bromo-4'-methoxyacetoacetanilide is C11H12BrNO3.
What is the molecular weight of 4-Bromo-4'-methoxyacetoacetanilide?
The molecular weight of 4-Bromo-4'-methoxyacetoacetanilide is 285.00 g/mol.
Where can I buy 4-Bromo-4'-methoxyacetoacetanilide?
You can request a quote for 4-Bromo-4'-methoxyacetoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-4'-methoxyacetoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-4'-methoxyacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.