2-Acetylamino-3-chloro-1,4-naphthoquinone
TL;DR: 2-Acetylamino-3-chloro-1,4-naphthoquinone (CAS 5397-78-4) is a chemical compound with molecular formula C12H8ClNO3 and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide
Also Known As: 2-Chloro-3-acetamidonaphthoquinone, 2-acetylamino-3-chloro-1,4-naphthoquinone, N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide, 2-Acetamido-3-chloro-1,4-naphthoquinone, N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide
| Molecular Formula | C12H8ClNO3 |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.01927 |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 5397-78-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | OMXMYDUYAUOFRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetylamino-3-chloro-1,4-naphthoquinone (CAS 5397-78-4), with molecular formula C12H8ClNO3 and molecular weight 249.02 g/mol. IUPAC: N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide.
Chemical Property Profile of 2-Acetylamino-3-chloro-1,4-naphthoquinone
Property Insights of 2-Acetylamino-3-chloro-1,4-naphthoquinone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylamino-3-chloro-1,4-naphthoquinone. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylamino-3-chloro-1,4-naphthoquinone. Following Lipinski's Rule of Five, 2-Acetylamino-3-chloro-1,4-naphthoquinone has 1 hydrogen bond donor(s) and 3 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-Acetylamino-3-chloro-1,4-naphthoquinone?
The CAS number of 2-Acetylamino-3-chloro-1,4-naphthoquinone is 5397-78-4.
What is the molecular formula of 2-Acetylamino-3-chloro-1,4-naphthoquinone?
The molecular formula of 2-Acetylamino-3-chloro-1,4-naphthoquinone is C12H8ClNO3.
What is the molecular weight of 2-Acetylamino-3-chloro-1,4-naphthoquinone?
The molecular weight of 2-Acetylamino-3-chloro-1,4-naphthoquinone is 249.02 g/mol.
Where can I buy 2-Acetylamino-3-chloro-1,4-naphthoquinone?
You can request a quote for 2-Acetylamino-3-chloro-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylamino-3-chloro-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylamino-3-chloro-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.