4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid
TL;DR: 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid (CAS 110046-46-3) is a chemical compound with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)sulfinylmethyl]-3-nitrobenzoic acid
Also Known As: 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid, 4-[(4-aminophenyl)sulfinylmethyl]-3-nitrobenzoic acid, Benzoic acid, 4-(((4-aminophenyl)sulfinyl)methyl)-3-nitro-, Benzoic acid, 4-[[(4-aminophenyl)sulfinyl]methyl]-3-nitro-, 4-[(4-aminophenyl)sulfinylmethyl]-3-nitro-benzoic acid
| Molecular Formula | C14H12N2O5S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.0467 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 110046-46-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | XGZQLGBCPUKLKN-UHFFFAOYSA-N |
Product Overview
4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid (CAS 110046-46-3), with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol. IUPAC: 4-[(4-aminophenyl)sulfinylmethyl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid
Property Insights of 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid. The TPSA of 145.0 Ų indicates high polarity, suggesting 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(((4-Aminophenyl)sulfinyl)methyl)-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-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
The CAS number of 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid is 110046-46-3.
What is the molecular formula of 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
The molecular formula of 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid is C14H12N2O5S.
What is the molecular weight of 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
The molecular weight of 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid is 320.05 g/mol.
Where can I buy 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
You can request a quote for 4-(((4-Aminophenyl)sulfinyl)methyl)-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-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-Aminophenyl)sulfinyl)methyl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.