![methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate structure](/static/products/1008/1008711-16-7.webp)
methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate
TL;DR: methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate (CAS 1008711-16-7) is a chemical compound with molecular formula C18H15BrN2O4S and molecular weight 433.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[5-(4-bromoanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
Also Known As: methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate, AT-057/41290484, methyl 3-[[5-(4-bromoanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate, methyl 3-((5-((4-bromophenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoate, methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benz oate
| Molecular Formula | C18H15BrN2O4S |
|---|---|
| Molecular Weight | 433.99 g/mol |
| LogP | 3.8693 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.9936 |
| Heavy Atoms | 26 |
| Complexity | 856.52454 |
Chemical Identifiers
| CAS Number | 1008711-16-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C(=O)C(SC2=O)NC3=CC=C(C=C3)Br |
Product Overview
methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate (CAS 1008711-16-7), with molecular formula C18H15BrN2O4S and molecular weight 433.99 g/mol. IUPAC: methyl 3-[[5-(4-bromoanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate.
Chemical Property Profile of methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate
Property Insights of methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate
The XLogP value of 3.8693 indicates that methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)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 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate. Following Lipinski's Rule of Five, methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)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 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate?
The CAS number of methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate is 1008711-16-7.
What is the molecular formula of methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate?
The molecular formula of methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate is C18H15BrN2O4S.
What is the molecular weight of methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate?
The molecular weight of methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate is 433.99 g/mol.
Where can I buy methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate?
You can request a quote for methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.