5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-
TL;DR: 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- (CAS 116759-27-4) is a chemical compound with molecular formula C20H14BrNO4S and molecular weight 442.9827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
Also Known As: 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-5-thiazoleacetic acid, 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-, 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
Technical Specifications
| Molecular Formula | C20H14BrNO4S |
| Molecular Weight | 442.9827 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.9827 Da |
| Heavy Atoms | 27 |
| Complexity | 554.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)Br |
| InChIKey | RMPFRTXUKWXCBY-KRXBUXKQSA-N |
Chemical Property Profile of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-
Property Insights of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-
The XLogP value of 4.9 indicates that 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-. Following Lipinski's Rule of Five, 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- 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
What is the CAS number of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-?
The CAS number of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- is 116759-27-4.
What is the molecular formula of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-?
The molecular formula of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- is C20H14BrNO4S.
What is the molecular weight of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-?
The molecular weight of 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- is 442.9827 g/mol.
Where can I buy 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-?
You can request a quote for 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)-?
Yes, CoreyChem provides custom synthesis services for 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.