4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid
TL;DR: 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid (CAS 387364-13-8) is a chemical compound with molecular formula C13H8N2O7S and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxy-4-nitrophenyl)sulfanyl-3-nitrobenzoic acid
Also Known As: benzoic acid, 4-[(3-hydroxy-4-nitrophenyl)thio]-3-nitro-, 4-(3-hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid, 4-(3-hydroxy-4-nitrophenyl)sulfanyl-3-nitrobenzoic acid, 4-(3-hydroxy-4-nitro-phenyl)sulfanyl-3-nitro-benzoic Acid, 4-[(3-HYDROXY-4-NITROPHENYL)SULFANYL]-3-NITROBENZOIC ACID
| Molecular Formula | C13H8N2O7S |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 3.058 |
| Topological Polar Surface Area | 143.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.00522 |
| Heavy Atoms | 23 |
| Complexity | 821.9655 |
Chemical Identifiers
| CAS Number | 387364-13-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=CC(=C(C=C2)[N+](=O)[O-])O |
Product Overview
4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid (CAS 387364-13-8), with molecular formula C13H8N2O7S and molecular weight 336.01 g/mol. IUPAC: 4-(3-hydroxy-4-nitrophenyl)sulfanyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid
Property Insights of 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid
The XLogP value of 3.058 indicates that 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.81 Ų indicates high polarity, suggesting 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid has 2 hydrogen bond donor(s) and 7 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 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid?
The CAS number of 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid is 387364-13-8.
What is the molecular formula of 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid?
The molecular formula of 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid is C13H8N2O7S.
What is the molecular weight of 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid?
The molecular weight of 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid is 336.01 g/mol.
Where can I buy 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid?
You can request a quote for 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Hydroxy-4-nitrophenylthio)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.