4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid
TL;DR: 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid (CAS 41148-06-5) is a chemical compound with molecular formula C6H5N3O3S and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid
Also Known As: 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid, 4-Oxo-4-((1,3,4-thiadiazol-2-yl)amino)-2-butenoic acid, 2-Butenoic acid, 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)-, (Z)-
| Molecular Formula | C6H5N3O3S |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.00516 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 41148-06-5 |
|---|---|
| SMILES | C1=NN=C(S1)NC(=O)C=CC(=O)O |
| InChIKey | MNUAOWSWXIGCNE-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid (CAS 41148-06-5), with molecular formula C6H5N3O3S and molecular weight 199.01 g/mol. IUPAC: 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid
Property Insights of 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid
The XLogP value of -0.4 indicates that 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid has 2 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 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid?
The CAS number of 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid is 41148-06-5.
What is the molecular formula of 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid is C6H5N3O3S.
What is the molecular weight of 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid is 199.01 g/mol.
Where can I buy 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.