![3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid structure](/static/products/1034/103439-93-6.webp)
3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
TL;DR: 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid (CAS 103439-93-6) is a chemical compound with molecular formula C14H10N2O6S and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
Also Known As: 3-nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid, 3-nitro-4-{[(4-nitrophenyl)sulfanyl]methyl}benzoic acid, 3-Nitro-4-[(4-nitrophenyl)thio]methylbenzoic acid, 3-(Hydroxy(oxido)amino)-4-(((4-(hydroxy(oxido)amino)phenyl)thio)methyl)benzoic acid
| Molecular Formula | C14H10N2O6S |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.02597 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 103439-93-6 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | UCLKJFRACRHWPF-UHFFFAOYSA-N |
Product Overview
3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid (CAS 103439-93-6), with molecular formula C14H10N2O6S and molecular weight 334.03 g/mol. IUPAC: 3-nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
Property Insights of 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid
The XLogP value of 3.1 indicates that 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid has 1 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 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid?
The CAS number of 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid is 103439-93-6.
What is the molecular formula of 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid?
The molecular formula of 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid is C14H10N2O6S.
What is the molecular weight of 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid?
The molecular weight of 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid is 334.03 g/mol.
Where can I buy 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid?
You can request a quote for 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.