![1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- structure](/static/products/894/89478-05-7.png)
1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-
TL;DR: 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- (CAS 89478-05-7) is a chemical compound with molecular formula C16H9NO4S and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfanylnaphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-, 2-(4-nitrophenyl)sulfanylnaphthalene-1,4-dione, 2-[(4-NITROPHENYL)SULFANYL]NAPHTHALENE-1,4-DIONE, DIMETHYL 6,6'-DICHLORO-2,2'-BIPYRIDINE-4,4'-DICARBOXYLATE
| Molecular Formula | C16H9NO4S |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.02524 |
| Heavy Atoms | 22 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 89478-05-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)SC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | PUFZUEOXGSGSNR-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- (CAS 89478-05-7), with molecular formula C16H9NO4S and molecular weight 311.03 g/mol. IUPAC: 2-(4-nitrophenyl)sulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-
Property Insights of 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-
The XLogP value of 3.4 indicates that 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- has 0 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 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-?
The CAS number of 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- is 89478-05-7.
What is the molecular formula of 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-?
The molecular formula of 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- is C16H9NO4S.
What is the molecular weight of 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-?
The molecular weight of 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- is 311.03 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-?
You can request a quote for 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-[(4-nitrophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.