3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate
TL;DR: 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate (CAS 329218-74-8) is a chemical compound with molecular formula C17H9N3O7S2 and molecular weight 430.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-nitrobenzoyl)-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate
Also Known As: 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate, 3-[(4-nitrophenyl)carbonyl]-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl 4-nitrobenzoate, [3-(4-nitrobenzoyl)-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate, 3-(4-nitrobenzoyl)-2-thioxo-2,3-dihydrothiazol-4-yl 4-nitrobenzoate, 3-[(4-nitrophenyl)carbonyl]-2-thioxo-1,3-thiazolin-4-yl 4-nitrobenzoate
| Molecular Formula | C17H9N3O7S2 |
|---|---|
| Molecular Weight | 430.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.9882 |
| Heavy Atoms | 29 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 329218-74-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N2C(=CSC2=S)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KRLNZURDWRTOJN-UHFFFAOYSA-N |
Product Overview
3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate (CAS 329218-74-8), with molecular formula C17H9N3O7S2 and molecular weight 430.99 g/mol. IUPAC: [3-(4-nitrobenzoyl)-2-sulfanylidene-1,3-thiazol-4-yl] 4-nitrobenzoate.
Chemical Property Profile of 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate
Property Insights of 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate
The XLogP value of 3.8 indicates that 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 9 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-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate?
The CAS number of 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate is 329218-74-8.
What is the molecular formula of 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate?
The molecular formula of 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate is C17H9N3O7S2.
What is the molecular weight of 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate?
The molecular weight of 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate is 430.99 g/mol.
Where can I buy 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate?
You can request a quote for 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrobenzoyl)-2-thioxo-4-thiazolyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.