Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-
TL;DR: Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- (CAS 99661-55-9) is a chemical compound with molecular formula C13H9NO4S and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
Also Known As: 2-(3,4-(Methylenedioxy)styryl)thiazole-4-carboxylic acid, Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-, 4-Thiazolecarboxylic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-, 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid, RefChem:1099848
| Molecular Formula | C13H9NO4S |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 2.7404 |
| Topological Polar Surface Area | 68.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.02524 |
| Heavy Atoms | 19 |
| Complexity | 662.41284 |
Chemical Identifiers
| CAS Number | 99661-55-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC(=CS3)C(=O)O |
Product Overview
Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- (CAS 99661-55-9), with molecular formula C13H9NO4S and molecular weight 275.03 g/mol. IUPAC: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-
Property Insights of Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-
The XLogP value of 2.7404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-. The TPSA of 68.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-. Following Lipinski's Rule of Five, Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- has 1 hydrogen bond donor(s) and 5 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 Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-?
The CAS number of Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- is 99661-55-9.
What is the molecular formula of Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-?
The molecular formula of Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- is C13H9NO4S.
What is the molecular weight of Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-?
The molecular weight of Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- is 275.03 g/mol.
Where can I buy Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-?
You can request a quote for Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiazole-4-carboxylic acid, 2-(3,4-(methylenedioxy)styryl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.