![3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid structure](/static/products/1034/103440-01-3.webp)
3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
TL;DR: 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid (CAS 103440-01-3) is a chemical compound with molecular formula C14H10N2O8S and molecular weight 366.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
Also Known As: 3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid, 3-nitro-4-{[(4-nitrophenyl)sulfonyl]methyl}benzoic acid, 3-Nitro-4[[(4-nitrophenyl)sulfonyl]methyl]benzoic acid, 3-(Hydroxy(oxido)amino)-4-(((4-(hydroxy(oxido)amino)phenyl)sulfonyl)methyl)benzoic acid
| Molecular Formula | C14H10N2O8S |
|---|---|
| Molecular Weight | 366.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.01578 |
| Heavy Atoms | 25 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 103440-01-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | QWPVRAYCNKUIMJ-UHFFFAOYSA-N |
Product Overview
3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid (CAS 103440-01-3), with molecular formula C14H10N2O8S and molecular weight 366.02 g/mol. IUPAC: 3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid.
Chemical Property Profile of 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
Property Insights of 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid. The TPSA of 171.0 Ų indicates high polarity, suggesting 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid has 1 hydrogen bond donor(s) and 8 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)sulfonylmethyl]benzoic acid?
The CAS number of 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid is 103440-01-3.
What is the molecular formula of 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid?
The molecular formula of 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid is C14H10N2O8S.
What is the molecular weight of 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid?
The molecular weight of 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid is 366.02 g/mol.
Where can I buy 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid?
You can request a quote for 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]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)sulfonylmethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.