Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-
TL;DR: Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- (CAS 95896-28-9) is a chemical compound with molecular formula C6H7N3O6S2 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid
Also Known As: Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-, 2-sulfo-3-(1,3,4-thiadiazol-2-ylcarbamoyl)propanoic Acid, 4-((1,3,4-Thiadiazol-2-yl)amino)-4-oxo-2-sulfobutanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid, 4-Oxo-2-sulfo-4-[(1,3,4-thiadiazol-2-yl)amino]butanoic acid
| Molecular Formula | C6H7N3O6S2 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.97763 |
| Heavy Atoms | 17 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 95896-28-9 |
|---|---|
| SMILES | C1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)O |
| InChIKey | QHYFAPXQQNWKPA-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- (CAS 95896-28-9), with molecular formula C6H7N3O6S2 and molecular weight 280.98 g/mol. IUPAC: 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid.
Chemical Property Profile of Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-
Property Insights of Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-
The XLogP value of -1.7 indicates that Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- has 3 hydrogen bond donor(s) and 9 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 Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-?
The CAS number of Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- is 95896-28-9.
What is the molecular formula of Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-?
The molecular formula of Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- is C6H7N3O6S2.
What is the molecular weight of Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-?
The molecular weight of Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- is 280.98 g/mol.
Where can I buy Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-?
You can request a quote for Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-oxo-2-sulfo-4-(1,3,4-thiadiazol-2-ylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.