![4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide structure](/static/products/6128/612802-90-1.webp)
4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
TL;DR: 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide (CAS 612802-90-1) is a chemical compound with molecular formula C16H10N4O4S2 and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide, AS-871/42027694, 4-nitro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, (Z)-4-nitro-N-(4-oxo-5-(pyridin-4-ylmethylene)-2-thioxothiazolidin-3-yl)benzamide, (4-nitrophenyl)-N-[4-oxo-5-(4-pyridylmethylene)-2-thioxo(1,3-thiazolidin-3-yl) ]carboxamide
| Molecular Formula | C16H10N4O4S2 |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 2.536 |
| Topological Polar Surface Area | 105.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.01434 |
| Heavy Atoms | 26 |
| Complexity | 929.02576 |
Chemical Identifiers
| CAS Number | 612802-90-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NN2C(=O)/C(=C/C3=CC=NC=C3)/SC2=S)[N+](=O)[O-] |
Product Overview
4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide (CAS 612802-90-1), with molecular formula C16H10N4O4S2 and molecular weight 386.01 g/mol. IUPAC: 4-nitro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Property Insights of 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
The XLogP value of 2.536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide. The TPSA of 105.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide. Following Lipinski's Rule of Five, 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide 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 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide?
The CAS number of 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide is 612802-90-1.
What is the molecular formula of 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide?
The molecular formula of 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide is C16H10N4O4S2.
What is the molecular weight of 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide?
The molecular weight of 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide is 386.01 g/mol.
Where can I buy 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide?
You can request a quote for 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-[4-oxo-5-(4-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.