![methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate structure](/static/products/5932/593265-91-9.webp)
methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
TL;DR: methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate (CAS 593265-91-9) is a chemical compound with molecular formula C16H14BrNO5S and molecular weight 410.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-bromo-2-[(E)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
Also Known As: methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate, (E)-methyl 2-(2-((3-allyl-2,4-dioxothiazolidin-5-ylidene)methyl)-4-bromophenoxy)acetate, methyl 2-[4-bromo-2-[(E)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
| Molecular Formula | C16H14BrNO5S |
|---|---|
| Molecular Weight | 410.98 g/mol |
| LogP | 3.2232 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.9776 |
| Heavy Atoms | 24 |
| Complexity | 731.178 |
Chemical Identifiers
| CAS Number | 593265-91-9 |
|---|---|
| SMILES | COC(=O)COC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N(C(=O)S2)CC=C |
Product Overview
methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate (CAS 593265-91-9), with molecular formula C16H14BrNO5S and molecular weight 410.98 g/mol. IUPAC: methyl 2-[4-bromo-2-[(E)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate.
Chemical Property Profile of methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Property Insights of methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
The XLogP value of 3.2232 indicates that methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate. Following Lipinski's Rule of Five, methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate has 0 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-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate?
The CAS number of methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate is 593265-91-9.
What is the molecular formula of methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate?
The molecular formula of methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate is C16H14BrNO5S.
What is the molecular weight of methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate?
The molecular weight of methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate is 410.98 g/mol.
Where can I buy methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate?
You can request a quote for methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-bromo-2-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.