![3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid structure](/static/products/899/899588-41-1.png)
3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid
TL;DR: 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid (CAS 899588-41-1) is a chemical compound with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromo-2-ethylanilino)-4-oxobutanoic acid
Also Known As: 4-(4-bromo-2-ethylanilino)-4-oxobutanoic acid, 3-[(4-bromo-2-ethyl-phenyl)carbamoyl]propanoic Acid, 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid, 4-((4-bromo-2-ethylphenyl)amino)-4-oxobutanoic acid, 4-[(4-bromo-2-ethylphenyl)amino]-4-oxobutanoic acid
| Molecular Formula | C12H14BrNO3 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 2.8148 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.01572 |
| Heavy Atoms | 17 |
| Complexity | 431.75897 |
Chemical Identifiers
| CAS Number | 899588-41-1 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)O |
Product Overview
3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid (CAS 899588-41-1), with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol. IUPAC: 4-(4-bromo-2-ethylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid
Property Insights of 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid
The XLogP value of 2.8148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid. Following Lipinski's Rule of Five, 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic 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 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid?
The CAS number of 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid is 899588-41-1.
What is the molecular formula of 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid?
The molecular formula of 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid is C12H14BrNO3.
What is the molecular weight of 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid?
The molecular weight of 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid is 299.02 g/mol.
Where can I buy 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid?
You can request a quote for 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[N-(4-bromo-2-ethylphenyl)carbamoyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.