2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-
TL;DR: 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- (CAS 649554-02-9) is a chemical compound with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoic acid
Also Known As: 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-, 2-Butenoic acid,2-methyl-4-oxo-4-(2-thiazolylamino)-,(2E), 2-methyl-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoic acid, 2-Methyl-4-oxo-4-[(1,3-thiazol-2-yl)amino]but-2-enoic acid
| Molecular Formula | C8H8N2O3S |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.02556 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 649554-02-9 |
|---|---|
| SMILES | CC(=CC(=O)NC1=NC=CS1)C(=O)O |
| InChIKey | LQMDSXLXFGYONW-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- (CAS 649554-02-9), with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol. IUPAC: 2-methyl-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-
Property Insights of 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- has 2 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 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-?
The CAS number of 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- is 649554-02-9.
What is the molecular formula of 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-?
The molecular formula of 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- is C8H8N2O3S.
What is the molecular weight of 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-?
The molecular weight of 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- is 212.03 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-?
You can request a quote for 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-4-oxo-4-(2-thiazolylamino)-, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.