![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.png)
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 638.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C21H18N8O8S4 |
|---|---|
| Molecular Weight | 638.01 g/mol |
| LogP | 0.1332 |
| Topological Polar Surface Area | 235.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 638.01306 |
| Heavy Atoms | 41 |
| Complexity | 1635.9086 |
Chemical Identifiers
| CAS Number | 114875-57-9 |
|---|---|
| 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 |
Product Overview
1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. (CAS 114875-57-9), with molecular formula C21H18N8O8S4 and molecular weight 638.01 g/mol. IUPAC: (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.
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 0.1332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.. The TPSA of 235.45 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 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 638.01 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv.?
Yes, KEHONG BIO 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.