Cefotaxime S-oxide
TL;DR: Cefotaxime S-oxide (CAS 71048-88-9) is a chemical compound with molecular formula C16H17N5O8S2 and molecular weight 471.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Ceftioxide, Ceftioxido, Ceftioxide [INN], CEFOTAXIME S-OXIDE, Antibiotic HR-109
| Molecular Formula | C16H17N5O8S2 |
|---|---|
| Molecular Weight | 471.05 g/mol |
| LogP | -1.607 |
| Topological Polar Surface Area | 190.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.05185 |
| Heavy Atoms | 31 |
| Complexity | 1048.541 |
Chemical Identifiers
| CAS Number | 71048-88-9 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)S(=O)C1)C(=O)O |
Product Overview
Cefotaxime S-oxide (CAS 71048-88-9), with molecular formula C16H17N5O8S2 and molecular weight 471.05 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cefotaxime S-oxide
Property Insights of Cefotaxime S-oxide
The XLogP value of -1.607 indicates that Cefotaxime S-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.58 Ų indicates high polarity, suggesting Cefotaxime S-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefotaxime S-oxide has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefotaxime S-oxide?
The CAS number of Cefotaxime S-oxide is 71048-88-9.
What is the molecular formula of Cefotaxime S-oxide?
The molecular formula of Cefotaxime S-oxide is C16H17N5O8S2.
What is the molecular weight of Cefotaxime S-oxide?
The molecular weight of Cefotaxime S-oxide is 471.05 g/mol.
Where can I buy Cefotaxime S-oxide?
You can request a quote for Cefotaxime S-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefotaxime S-oxide?
Yes, KEHONG BIO provides custom synthesis services for Cefotaxime S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.