![4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid structure](/static/products/1025/1025762-87-1.webp)
4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid
TL;DR: 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid (CAS 1025762-87-1) is a chemical compound with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-4-oxo-2-(thiophen-2-ylmethylamino)butanoic acid
Also Known As: 4-(4-chlorophenyl)-4-oxo-2-(thiophen-2-ylmethylamino)butanoic Acid, 4-(4-chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid, 4-(4-chlorophenyl)-4-oxo-2-{[(thiophen-2-yl)methyl]amino}butanoic acid, 4-(4-chlorophenyl)-4-oxo-2-[(thiophen-2-ylmethyl)amino]butanoic acid, 4-(4-chlorophenyl)-4-oxo-2-{[(thiophen-2-yl)methyl]amino}butanoicacid
| Molecular Formula | C15H14ClNO3S |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 3.2173 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.0383 |
| Heavy Atoms | 21 |
| Complexity | 610.35876 |
Chemical Identifiers
| CAS Number | 1025762-87-1 |
|---|---|
| SMILES | C1=CSC(=C1)CNC(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid (CAS 1025762-87-1), with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol. IUPAC: 4-(4-chlorophenyl)-4-oxo-2-(thiophen-2-ylmethylamino)butanoic acid.
Chemical Property Profile of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid
Property Insights of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid
The XLogP value of 3.2173 indicates that 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic 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
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid?
The CAS number of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid is 1025762-87-1.
What is the molecular formula of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid?
The molecular formula of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid is C15H14ClNO3S.
What is the molecular weight of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid?
The molecular weight of 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid is 323.04 g/mol.
Where can I buy 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid?
You can request a quote for 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic 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-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-4-oxo-2-[(2-thienylmethyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.