4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid
TL;DR: 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid (CAS 853902-94-0) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid
Also Known As: 3-[(4-acetamidophenyl)carbamoyl]but-2-enoic Acid, 4-(4-acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid, 4-[4-(acetylamino)anilino]-3-methyl-4-oxo-2-butenoic acid
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.6144 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 532.0791 |
Chemical Identifiers
| CAS Number | 853902-94-0 |
|---|---|
| SMILES | CC(=CC(=O)O)C(=O)NC1=CC=C(C=C1)NC(=O)C |
Product Overview
4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid (CAS 853902-94-0), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 4-(4-acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid
Property Insights of 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid
The XLogP value of 1.6144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid has 3 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-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid?
The CAS number of 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid is 853902-94-0.
What is the molecular formula of 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid?
The molecular formula of 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid is C13H14N2O4.
What is the molecular weight of 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid?
The molecular weight of 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid is 262.10 g/mol.
Where can I buy 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid?
You can request a quote for 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetamidoanilino)-3-methyl-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.