4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid
TL;DR: 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid (CAS 1026123-05-6) is a chemical compound with molecular formula C13H14ClNO3 and molecular weight 267.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid
Also Known As: TimTec1_000963, 4-(4-chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid, AA-768/11390007, BRD-A82058811-001-01-3, 4-(4-chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoicacid
Technical Specifications
| Molecular Formula | C13H14ClNO3 |
| Molecular Weight | 267.06622 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.06622 Da |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
| SMILES | C1CC1NC(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | AXLZKTLFWJQYKX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid
Property Insights of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid?
The CAS number of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid is 1026123-05-6.
What is the molecular formula of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid?
The molecular formula of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid is C13H14ClNO3.
What is the molecular weight of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid?
The molecular weight of 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid is 267.06622 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid?
You can request a quote for 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.