N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide
TL;DR: N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide (CAS 22266-99-5) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-hydroxy-3,4-dioxonaphthalen-2-yl)acetamide
Also Known As: 2-acetylamino-3-hydroxy-[1,4]naphthoquinone, N-(1-hydroxy-3,4-dioxonaphthalen-2-yl)acetamide, n-(1-hydroxy-3,4-dioxo-3,4-dihydronaphthalen-2-yl)acetamide, N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide, N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)acetamide #
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 22266-99-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | BTFYCRRYVFBOCI-UHFFFAOYSA-N |
Product Overview
N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide (CAS 22266-99-5), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: N-(1-hydroxy-3,4-dioxonaphthalen-2-yl)acetamide.
Chemical Property Profile of N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide
Property Insights of N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide. Following Lipinski's Rule of Five, N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide 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 N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide?
The CAS number of N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide is 22266-99-5.
What is the molecular formula of N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide?
The molecular formula of N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide is C12H9NO4.
What is the molecular weight of N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide?
The molecular weight of N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide is 231.05 g/mol.
Where can I buy N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide?
You can request a quote for N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.