![2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid structure](/static/products/6967/6967-45-9.webp)
2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid
TL;DR: 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid (CAS 6967-45-9) is a chemical compound with molecular formula C12H8ClNO4 and molecular weight 265.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid
Also Known As: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid, n-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)glycine, J2.759.874I, N-(3-chloro-1,4-naphthoquinon-2-yl)-glycine, AN-967/40848566
| Molecular Formula | C12H8ClNO4 |
|---|---|
| Molecular Weight | 265.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0142 |
| Heavy Atoms | 18 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 6967-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC(=O)O |
| InChIKey | BGVSMWPOACWRMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid (CAS 6967-45-9), with molecular formula C12H8ClNO4 and molecular weight 265.01 g/mol. IUPAC: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid.
Chemical Property Profile of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid
Property Insights of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid. Following Lipinski's Rule of Five, 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid has 2 hydrogen bond donor(s) and 5 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-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid?
The CAS number of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid is 6967-45-9.
What is the molecular formula of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid?
The molecular formula of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid is C12H8ClNO4.
What is the molecular weight of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid?
The molecular weight of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid is 265.01 g/mol.
Where can I buy 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid?
You can request a quote for 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.