![4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid structure](/static/products/105/1054481-38-7.webp)
4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid
TL;DR: 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid (CAS 1054481-38-7) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-chlorophenyl)methylamino]-4-oxobutanoic acid
Also Known As: 4-[(2-chlorobenzyl)amino]-4-oxobutanoic acid, 4-[(2-Chlorobenzyl)amino]-4-oxobutanoicacid, 3-{[(2-chlorophenyl)methyl]carbamoyl}propanoic acid, 4-((2-Chlorobenzyl)amino)-4-oxobutanoic acid, 4-(2-Cyclohexylethoxy)piperidine hydrochloride
Technical Specifications
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.05057 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05057 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | C1=CC=C(C(=C1)CNC(=O)CCC(=O)O)Cl |
| InChIKey | NZLYKZUNHUYCRU-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid
Property Insights of 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 3 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-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid?
The CAS number of 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid is 1054481-38-7.
What is the molecular formula of 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid is C11H12ClNO3.
What is the molecular weight of 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid is 241.05057 g/mol.
Where can I buy 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[(2-Chlorobenzyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.