4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester
TL;DR: 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester (CAS 199167-77-6) is a chemical compound with molecular formula C12H9NO4S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
Also Known As: BAS 00253634, 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester, methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate, Benzoic acid, 4-[(2,4-dioxo-5-thiazolidinylidene)methyl]-, methyl ester
| Molecular Formula | C12H9NO4S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.02524 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 199167-77-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=O)S2 |
| InChIKey | VVYFDUGNDSIVAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester (CAS 199167-77-6), with molecular formula C12H9NO4S and molecular weight 263.03 g/mol. IUPAC: methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate.
Chemical Property Profile of 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester
Property Insights of 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester. Following Lipinski's Rule of Five, 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester has 1 hydrogen bond donor(s) and 5 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 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester?
The CAS number of 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester is 199167-77-6.
What is the molecular formula of 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester?
The molecular formula of 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester is C12H9NO4S.
What is the molecular weight of 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester?
The molecular weight of 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester is 263.03 g/mol.
Where can I buy 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester?
You can request a quote for 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.