Ceftaroline Impurity 2
TL;DR: Ceftaroline Impurity 2 (CAS 700803-62-9) is a chemical compound with molecular formula C22H21N8O5S4+ and molecular weight 605.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Ceftaroline, Ceftaroline Impurity 2, 4-(2-{[(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridinium
| Molecular Formula | C22H21N8O5S4+ |
|---|---|
| Molecular Weight | 605.05 g/mol |
| LogP | 1.2973 |
| Topological Polar Surface Area | 176.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 605.05176 |
| Heavy Atoms | 39 |
| Complexity | 1501.8546 |
Chemical Identifiers
| CAS Number | 700803-62-9 |
|---|---|
| SMILES | CCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O |
Product Overview
Ceftaroline Impurity 2 (CAS 700803-62-9), with molecular formula C22H21N8O5S4+ and molecular weight 605.05 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Ceftaroline Impurity 2
Property Insights of Ceftaroline Impurity 2
The XLogP value of 1.2973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ceftaroline Impurity 2. The TPSA of 176.87 Ų indicates high polarity, suggesting Ceftaroline Impurity 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ceftaroline Impurity 2 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ceftaroline Impurity 2?
The CAS number of Ceftaroline Impurity 2 is 700803-62-9.
What is the molecular formula of Ceftaroline Impurity 2?
The molecular formula of Ceftaroline Impurity 2 is C22H21N8O5S4+.
What is the molecular weight of Ceftaroline Impurity 2?
The molecular weight of Ceftaroline Impurity 2 is 605.05 g/mol.
Where can I buy Ceftaroline Impurity 2?
You can request a quote for Ceftaroline Impurity 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ceftaroline Impurity 2?
Yes, KEHONG BIO provides custom synthesis services for Ceftaroline Impurity 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.