Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate
TL;DR: Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate (CAS 431075-68-2) is a chemical compound with molecular formula C15H14N4O5S2 and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(3-nitrobenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
Also Known As: VU0265805-3, ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate, ETHYL 2-[2-({[(3-NITROPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)-1,3-THIAZOL-4-YL]ACETATE, ethyl 2-[2-[(3-nitrobenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate, ethyl [2-({[(3-nitrobenzoyl)amino]carbonothioyl}amino)-1,3-thiazol-4-yl]acetate
| Molecular Formula | C15H14N4O5S2 |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 2.2837 |
| Topological Polar Surface Area | 123.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.04056 |
| Heavy Atoms | 26 |
| Complexity | 852.0672 |
Chemical Identifiers
| CAS Number | 431075-68-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate (CAS 431075-68-2), with molecular formula C15H14N4O5S2 and molecular weight 394.04 g/mol. IUPAC: ethyl 2-[2-[(3-nitrobenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate
Property Insights of Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate
The XLogP value of 2.2837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate. The TPSA of 123.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate has 2 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 Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate?
The CAS number of Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate is 431075-68-2.
What is the molecular formula of Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate?
The molecular formula of Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate is C15H14N4O5S2.
What is the molecular weight of Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate?
The molecular weight of Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate is 394.04 g/mol.
Where can I buy Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate?
You can request a quote for Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-(3-(3-nitrobenzoyl)thioureido)thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.