![4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate structure](/static/products/3135/313530-36-8.webp)
4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate
TL;DR: 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate (CAS 313530-36-8) is a chemical compound with molecular formula C18H12BrNO5S and molecular weight 432.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate
Also Known As: 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate, [4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate, 4-[(2,4-Dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-bromobenzoate
| Molecular Formula | C18H12BrNO5S |
|---|---|
| Molecular Weight | 432.96 g/mol |
| LogP | 4.0008 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.96198 |
| Heavy Atoms | 26 |
| Complexity | 940.9287 |
Chemical Identifiers
| CAS Number | 313530-36-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)S2)OC(=O)C3=CC(=CC=C3)Br |
Product Overview
4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate (CAS 313530-36-8), with molecular formula C18H12BrNO5S and molecular weight 432.96 g/mol. IUPAC: [4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate.
Chemical Property Profile of 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate
Property Insights of 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate
The XLogP value of 4.0008 indicates that 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate. Following Lipinski's Rule of Five, 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate 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 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate?
The CAS number of 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate is 313530-36-8.
What is the molecular formula of 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate?
The molecular formula of 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate is C18H12BrNO5S.
What is the molecular weight of 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate?
The molecular weight of 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate is 432.96 g/mol.
Where can I buy 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate?
You can request a quote for 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate 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-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.