4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid
TL;DR: 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid (CAS 307340-27-8) 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-(3-bromo-4-methylanilino)-4-oxobutanoic acid
Also Known As: 4-(3-bromo-4-methylanilino)-4-oxobutanoic acid, 4-((3-Bromo-4-methylphenyl)amino)-4-oxobutanoic acid, 4-[(3-bromo-4-methylphenyl)amino]-4-oxobutanoic acid, AN-329/11638058, 3-[N-(3-bromo-4-methylphenyl)carbamoyl]propanoic acid
| Molecular Formula | C11H12BrNO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 2.56082 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.00006 |
| Heavy Atoms | 16 |
| Complexity | 417.69073 |
Chemical Identifiers
| CAS Number | 307340-27-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)Br |
Product Overview
4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid (CAS 307340-27-8), with molecular formula C11H12BrNO3 and molecular weight 285.00 g/mol. IUPAC: 4-(3-bromo-4-methylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid
Property Insights of 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid
The XLogP value of 2.56082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid has 2 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 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid?
The CAS number of 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid is 307340-27-8.
What is the molecular formula of 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid?
The molecular formula of 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid is C11H12BrNO3.
What is the molecular weight of 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid?
The molecular weight of 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid is 285.00 g/mol.
Where can I buy 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid?
You can request a quote for 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Bromo-4-methylanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.