Ceftaroline fosamil anhydrous base
TL;DR: Ceftaroline fosamil anhydrous base (CAS 402741-13-3) is a chemical compound with molecular formula C22H22N8O8PS4+ and molecular weight 685.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]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, Zinforo, Ceftaroline anhydrous base, Ceftaroline fosamil, Ceftaroline fosamil anhydrous base
| Molecular Formula | C22H22N8O8PS4+ |
|---|---|
| Molecular Weight | 685.02 g/mol |
| LogP | 1.2197 |
| Topological Polar Surface Area | 220.41 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 685.0181 |
| Heavy Atoms | 43 |
| Complexity | 1687.6741 |
Chemical Identifiers
| CAS Number | 402741-13-3 |
|---|---|
| SMILES | CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\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 fosamil anhydrous base (CAS 402741-13-3), with molecular formula C22H22N8O8PS4+ and molecular weight 685.02 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]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 fosamil anhydrous base
Property Insights of Ceftaroline fosamil anhydrous base
The XLogP value of 1.2197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ceftaroline fosamil anhydrous base. The TPSA of 220.41 Ų indicates high polarity, suggesting Ceftaroline fosamil anhydrous base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ceftaroline fosamil anhydrous base has 5 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 fosamil anhydrous base?
The CAS number of Ceftaroline fosamil anhydrous base is 402741-13-3.
What is the molecular formula of Ceftaroline fosamil anhydrous base?
The molecular formula of Ceftaroline fosamil anhydrous base is C22H22N8O8PS4+.
What is the molecular weight of Ceftaroline fosamil anhydrous base?
The molecular weight of Ceftaroline fosamil anhydrous base is 685.02 g/mol.
Where can I buy Ceftaroline fosamil anhydrous base?
You can request a quote for Ceftaroline fosamil anhydrous base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ceftaroline fosamil anhydrous base?
Yes, KEHONG BIO provides custom synthesis services for Ceftaroline fosamil anhydrous base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.