{2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid
TL;DR: {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid (CAS 692265-00-2) is a chemical compound with molecular formula C15H14BrNO6S and molecular weight 414.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]acetic acid
Also Known As: {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid, (E)-2-(2-bromo-4-((3-ethyl-2,4-dioxothiazolidin-5-ylidene)methyl)-6-methoxyphenoxy)acetic acid, 2-[2-bromo-4-[(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxy-phenoxy]acetic Acid, 2-[2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]acetic acid
| Molecular Formula | C15H14BrNO6S |
|---|---|
| Molecular Weight | 414.97 g/mol |
| LogP | 2.9773 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.97253 |
| Heavy Atoms | 24 |
| Complexity | 732.9196 |
Chemical Identifiers
| CAS Number | 692265-00-2 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC(=C(C(=C2)Br)OCC(=O)O)OC)/SC1=O |
Product Overview
{2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid (CAS 692265-00-2), with molecular formula C15H14BrNO6S and molecular weight 414.97 g/mol. IUPAC: 2-[2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]acetic acid.
Chemical Property Profile of {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid
Property Insights of {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid
The XLogP value of 2.9773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid. Following Lipinski's Rule of Five, {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid 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 {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid?
The CAS number of {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid is 692265-00-2.
What is the molecular formula of {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid?
The molecular formula of {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid is C15H14BrNO6S.
What is the molecular weight of {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid?
The molecular weight of {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid is 414.97 g/mol.
Where can I buy {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid?
You can request a quote for {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.