4-苯甲酰基-2-硝基苯基二硫化物
TL;DR: 4-苯甲酰基-2-硝基苯基二硫化物 (CAS 76209-04-6) is a chemical compound with molecular formula C26H16N2O6S2 and molecular weight 516.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯甲酰基-2-硝基苯基二硫化物
[4-[(4-benzoyl-2-nitrophenyl)disulfanyl]-3-nitrophenyl]-phenylmethanone
Also Known As: 4-Benzoyl-2-nitrophenyl disulfide, Nitrobenzene disulfide analog, [Dithiobis(3-nitro-4,1-phenylene)]bis(phenylmethanone), [Disulfanediylbis(3-nitro-4,1-phenylene)]bis(phenylmethanone), 1,1a(2)-[Dithiobis(3-nitro-4,1-phenylene)]bis[1-phenylmethanone]
| Molecular Formula | C26H16N2O6S2 |
|---|---|
| Molecular Weight | 516.04 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.045 |
| Heavy Atoms | 36 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 76209-04-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SSC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VJXYDYGVWFBKPA-UHFFFAOYSA-N |
Product Overview
4-苯甲酰基-2-硝基苯基二硫化物 (CAS 76209-04-6), with molecular formula C26H16N2O6S2 and molecular weight 516.04 g/mol. IUPAC: [4-[(4-benzoyl-2-nitrophenyl)disulfanyl]-3-nitrophenyl]-phenylmethanone.
Chemical Property Profile of 4-苯甲酰基-2-硝基苯基二硫化物
Property Insights of 4-苯甲酰基-2-硝基苯基二硫化物
The XLogP value of 6.1 indicates that 4-苯甲酰基-2-硝基苯基二硫化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting 4-苯甲酰基-2-硝基苯基二硫化物 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-苯甲酰基-2-硝基苯基二硫化物 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-苯甲酰基-2-硝基苯基二硫化物?
The CAS number of 4-苯甲酰基-2-硝基苯基二硫化物 is 76209-04-6.
What is the molecular formula of 4-苯甲酰基-2-硝基苯基二硫化物?
The molecular formula of 4-苯甲酰基-2-硝基苯基二硫化物 is C26H16N2O6S2.
What is the molecular weight of 4-苯甲酰基-2-硝基苯基二硫化物?
The molecular weight of 4-苯甲酰基-2-硝基苯基二硫化物 is 516.04 g/mol.
Where can I buy 4-苯甲酰基-2-硝基苯基二硫化物?
You can request a quote for 4-苯甲酰基-2-硝基苯基二硫化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯甲酰基-2-硝基苯基二硫化物?
Yes, KEHONG BIO provides custom synthesis services for 4-苯甲酰基-2-硝基苯基二硫化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.