![{2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester structure](/static/products/4319/431913-50-7.webp)
{2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester
TL;DR: {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester (CAS 431913-50-7) is a chemical compound with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(2-methylbenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
Also Known As: BAS 04281668, VU0200004-5, {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester, ethyl 2-[2-[(2-methylbenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate, ETHYL 2-[2-({[(2-METHYLPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)-1,3-THIAZOL-4-YL]ACETATE
| Molecular Formula | C16H17N3O3S2 |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 2.68392 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.07114 |
| Heavy Atoms | 24 |
| Complexity | 758.5308 |
Chemical Identifiers
| CAS Number | 431913-50-7 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2C |
Product Overview
{2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester (CAS 431913-50-7), with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol. IUPAC: ethyl 2-[2-[(2-methylbenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester
Property Insights of {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester
The XLogP value of 2.68392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester. Following Lipinski's Rule of Five, {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester has 2 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 {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester?
The CAS number of {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester is 431913-50-7.
What is the molecular formula of {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester?
The molecular formula of {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester is C16H17N3O3S2.
What is the molecular weight of {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester?
The molecular weight of {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester is 363.07 g/mol.
Where can I buy {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester?
You can request a quote for {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for {2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.