2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid
TL;DR: 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid (CAS 1047677-75-7) is a chemical compound with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid
Also Known As: 2-(butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid, 2-(butylamino)-4-((3,5-dimethylphenyl)amino)-4-oxobutanoic acid, F1124-0009, 2-butylamino-3-[(3,5-dimethylphenyl)carbamoyl]propanoic Acid, 3-[N-(3,5-dimethylphenyl)carbamoyl]-2-(butylamino)propanoic acid
| Molecular Formula | C16H24N2O3 |
|---|---|
| Molecular Weight | 292.18 g/mol |
| LogP | 2.47494 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 292.17868 |
| Heavy Atoms | 21 |
| Complexity | 480.0455 |
Chemical Identifiers
| CAS Number | 1047677-75-7 |
|---|---|
| SMILES | CCCCNC(CC(=O)NC1=CC(=CC(=C1)C)C)C(=O)O |
Product Overview
2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid (CAS 1047677-75-7), with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol. IUPAC: 2-(butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid
Property Insights of 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid
The XLogP value of 2.47494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic 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 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid?
The CAS number of 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid is 1047677-75-7.
What is the molecular formula of 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid?
The molecular formula of 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid is C16H24N2O3.
What is the molecular weight of 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid?
The molecular weight of 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid is 292.18 g/mol.
Where can I buy 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid?
You can request a quote for 2-(Butylamino)-4-(3,5-dimethylanilino)-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 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.