3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid
TL;DR: 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid (CAS 1008010-62-5) is a chemical compound with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[(4-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
Also Known As: 3-((3-(4-nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid, 3-[[3-[(4-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic Acid, F1955-0048, 3-({3-[(4-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid, 3-{[3-(4-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid
| Molecular Formula | C17H13N3O6S |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 2.9266 |
| Topological Polar Surface Area | 129.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.05252 |
| Heavy Atoms | 27 |
| Complexity | 930.52094 |
Chemical Identifiers
| CAS Number | 1008010-62-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O |
Product Overview
3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid (CAS 1008010-62-5), with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol. IUPAC: 3-[[3-[(4-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid.
Chemical Property Profile of 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid
Property Insights of 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid
The XLogP value of 2.9266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid. The TPSA of 129.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic 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 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
The CAS number of 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid is 1008010-62-5.
What is the molecular formula of 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
The molecular formula of 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid is C17H13N3O6S.
What is the molecular weight of 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
The molecular weight of 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid is 387.05 g/mol.
Where can I buy 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
You can request a quote for 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)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-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-(4-Nitrobenzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.