![1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. structure](/static/products/114/114875-57-9.webp)
1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.
TL;DR: 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. (CAS 114875-57-9) is a chemical compound with molecular formula C21H18N8O8S4 and molecular weight 638.01306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]acetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv., (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C21H18N8O8S4 |
| Molecular Weight | 638.01306 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 341.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 638.01306 Da |
| Heavy Atoms | 41 |
| Complexity | 1260.0 |
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/OCC3=CC(=O)C(=CN3O)O)/C4=CSC(=N4)N)C(=O)O)CSC5=CN=NS5 |
| InChIKey | PKNTVKPWSREWQQ-IRPQAHJPSA-N |
Chemical Property Profile of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.
Property Insights of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.
The XLogP value of -1.0 indicates that 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 341.0 Ų indicates high polarity, suggesting 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.?
The CAS number of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. is 114875-57-9.
What is the molecular formula of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.?
The molecular formula of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. is C21H18N8O8S4.
What is the molecular weight of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.?
The molecular weight of 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. is 638.01306 g/mol.
Where can I buy 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.?
You can request a quote for 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.?
Yes, CoreyChem provides custom synthesis services for 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.