4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
TL;DR: 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid (CAS 1032055-79-0) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: IFLab1_005280, F1278-0533, 4-(3,4-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid, 3-[(3,4-dimethylphenyl)carbamoyl]-2-{[(furan-2-yl)methyl]amino}propanoic acid, 4-((3,4-dimethylphenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid
| Molecular Formula | C17H20N2O4 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 2.46804 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.1423 |
| Heavy Atoms | 23 |
| Complexity | 679.90674 |
Chemical Identifiers
| CAS Number | 1032055-79-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2)C |
Product Overview
4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid (CAS 1032055-79-0), with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol. IUPAC: 4-(3,4-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Property Insights of 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
The XLogP value of 2.46804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 4 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-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The CAS number of 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 1032055-79-0.
What is the molecular formula of 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is C17H20N2O4.
What is the molecular weight of 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid is 316.14 g/mol.
Where can I buy 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-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-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.