![4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid structure](/static/products/748/74826-80-5.png)
4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid
TL;DR: 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid (CAS 74826-80-5) is a chemical compound with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]butanoic acid
Also Known As: 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid, 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]butanoic acid, N-(3-chloro-1,4-naphthoquinon-2-yl)-4-aminobutanoic acid, 4-[(3-chloro-1,4-dioxo-naphthalen-2-yl)amino]butanoic Acid, 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)butanoic acid
| Molecular Formula | C14H12ClNO4 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 1.9704 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.04547 |
| Heavy Atoms | 20 |
| Complexity | 621.35486 |
Chemical Identifiers
| CAS Number | 74826-80-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCC(=O)O |
Product Overview
4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid (CAS 74826-80-5), with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol. IUPAC: 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]butanoic acid.
Chemical Property Profile of 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid
Property Insights of 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid
The XLogP value of 1.9704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)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-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid?
The CAS number of 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid is 74826-80-5.
What is the molecular formula of 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid?
The molecular formula of 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid is C14H12ClNO4.
What is the molecular weight of 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid?
The molecular weight of 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid is 293.05 g/mol.
Where can I buy 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid?
You can request a quote for 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)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-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.