Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate
TL;DR: Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate (CAS 376351-70-1) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoate
Also Known As: BAS 00505288, methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate, methyl 4-[[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoate, methyl 4-((2,4-dioxo-3-(m-tolyl)thiazolidin-5-yl)amino)benzoate, 4-(2,4-Dioxo-3-m-tolyl-thiazolidin-5-ylamino)-benzoic acid methyl ester
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 3.41962 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 835.2246 |
Chemical Identifiers
| CAS Number | 376351-70-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C(SC2=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate (CAS 376351-70-1), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: methyl 4-[[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoate.
Chemical Property Profile of Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate
Property Insights of Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate
The XLogP value of 3.41962 indicates that Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate 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 Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate?
The CAS number of Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate is 376351-70-1.
What is the molecular formula of Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate?
The molecular formula of Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate is C18H16N2O4S.
What is the molecular weight of Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate?
The molecular weight of Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate is 356.08 g/mol.
Where can I buy Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate?
You can request a quote for Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.