(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
TL;DR: (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid (CAS 327072-73-1) is a chemical compound with molecular formula C12H8N2O6S and molecular weight 308.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 01541540, (5-{3-nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid, AB00685194-01, AE-641/40197998, F0804-0007
| Molecular Formula | C12H8N2O6S |
|---|---|
| Molecular Weight | 308.01 g/mol |
| LogP | 1.7157 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0103 |
| Heavy Atoms | 21 |
| Complexity | 684.08014 |
Chemical Identifiers
| CAS Number | 327072-73-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC(=O)O |
Product Overview
(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid (CAS 327072-73-1), with molecular formula C12H8N2O6S and molecular weight 308.01 g/mol. IUPAC: 2-[(5Z)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
Property Insights of (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
The XLogP value of 1.7157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid. Following Lipinski's Rule of Five, (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid has 1 hydrogen bond donor(s) and 6 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 (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The CAS number of (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid is 327072-73-1.
What is the molecular formula of (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The molecular formula of (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid is C12H8N2O6S.
What is the molecular weight of (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The molecular weight of (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid is 308.01 g/mol.
Where can I buy (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
You can request a quote for (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.