2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid
TL;DR: 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid (CAS 67931-71-9) is a chemical compound with molecular formula C21H21BrN2O5S and molecular weight 492.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Also Known As: 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid, 5-Thiazolidineacetic acid, 2-((4-bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-, 2-[2-(4-bromophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
| Molecular Formula | C21H21BrN2O5S |
|---|---|
| Molecular Weight | 492.04 g/mol |
| LogP | 4.1152 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.03546 |
| Heavy Atoms | 30 |
| Complexity | 964.36914 |
Chemical Identifiers
| CAS Number | 67931-71-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)C(SC2=NC3=CC=C(C=C3)Br)CC(=O)O)OC |
Product Overview
2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid (CAS 67931-71-9), with molecular formula C21H21BrN2O5S and molecular weight 492.04 g/mol. IUPAC: 2-[2-(4-bromophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
Chemical Property Profile of 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid
Property Insights of 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid
The XLogP value of 4.1152 indicates that 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid. Following Lipinski's Rule of Five, 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid has 1 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-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid?
The CAS number of 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid is 67931-71-9.
What is the molecular formula of 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid?
The molecular formula of 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid is C21H21BrN2O5S.
What is the molecular weight of 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid?
The molecular weight of 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid is 492.04 g/mol.
Where can I buy 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid?
You can request a quote for 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromphenyl)imino)-3-(2-(3,4-dimethoxyphenyl)ethyl)-4-oxo-5-thiazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.