![(2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide structure](/static/products/301/301692-14-8.png)
(2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide
TL;DR: (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide (CAS 301692-14-8) is a chemical compound with molecular formula C19H13N3O6S2 and molecular weight 443.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide, (E)-2-methyl-N-(5-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, 2-methyl-N-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, 2-METHYL-N-[(5E)-5-[(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BENZAMIDE, 2-methyl-N-{(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
| Molecular Formula | C19H13N3O6S2 |
|---|---|
| Molecular Weight | 443.02 g/mol |
| LogP | 3.17812 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.02457 |
| Heavy Atoms | 30 |
| Complexity | 1147.0848 |
Chemical Identifiers
| CAS Number | 301692-14-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NN2C(=O)/C(=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/SC2=S |
Product Overview
(2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide (CAS 301692-14-8), with molecular formula C19H13N3O6S2 and molecular weight 443.02 g/mol. IUPAC: 2-methyl-N-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide
Property Insights of (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide
The XLogP value of 3.17812 indicates that (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide. Following Lipinski's Rule of Five, (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide 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 (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide?
The CAS number of (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide is 301692-14-8.
What is the molecular formula of (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide?
The molecular formula of (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide is C19H13N3O6S2.
What is the molecular weight of (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide?
The molecular weight of (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide is 443.02 g/mol.
Where can I buy (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide?
You can request a quote for (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2-methylphenyl)-N-{5-[(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))methylene]-4 -oxo-2-thioxo(1,3-thiazolidin-3-yl)}carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.