2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine
TL;DR: 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine (CAS 141723-90-2) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxonaphthalen-2-yl] acetate
Also Known As: 2-ADINI, Sid 703313, 2-acetyl-n-1,4-naphthoquinoneimine, 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine, [4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxonaphthalen-2-yl] acetate
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 141723-90-2 |
|---|---|
| SMILES | CC1=C(ON=C1C)N=C2C=C(C(=O)C3=CC=CC=C32)OC(=O)C |
| InChIKey | AQZUFAWQTHMUSS-UHFFFAOYSA-N |
Product Overview
2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine (CAS 141723-90-2), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: [4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]-1-oxonaphthalen-2-yl] acetate.
Chemical Property Profile of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine
Property Insights of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine. Following Lipinski's Rule of Five, 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine has 0 hydrogen bond donor(s) and 6 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-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine?
The CAS number of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine is 141723-90-2.
What is the molecular formula of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine?
The molecular formula of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine is C17H14N2O4.
What is the molecular weight of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine?
The molecular weight of 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine is 310.10 g/mol.
Where can I buy 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine?
You can request a quote for 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.