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cefotaxime structure
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cefotaxime

TL;DR: cefotaxime (CAS 63527-52-6) is a chemical compound with molecular formula C16H17N5O7S2 and molecular weight 455.05695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: cefotaxime, Claforan, Cefotaxima, Cefotaximum, Cephotaxime

CAS Number
63527-52-6
Molecular Formula
C16H17N5O7S2
Molecular Weight
455.05695 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (2 patents) Pharmaceutical Intermediates (2 patents)

Technical Specifications

Molecular FormulaC16H17N5O7S2
Molecular Weight455.05695 g/mol
XLogP-1.4
Topological Polar Surface Area (TPSA)227.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors12
Rotatable Bonds8
Exact Mass455.05695 Da
Heavy Atoms30
Complexity833.0
SMILESCC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
InChIKeyGPRBEKHLDVQUJE-UHFFFAOYSA-N

Chemical Property Profile of cefotaxime

XLogP
-1.4
TPSA (Topological Polar Surface Area)
227.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
12
Rotatable Bonds
8
Heavy Atoms
30
Complexity
833.0
Exact Mass
455.05695
Monoisotopic Mass
455.05695
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of cefotaxime

The XLogP value of -1.4 indicates that cefotaxime is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 227.0 Ų indicates high polarity, suggesting cefotaxime may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cefotaxime has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of cefotaxime?

The CAS number of cefotaxime is 63527-52-6.

What is the molecular formula of cefotaxime?

The molecular formula of cefotaxime is C16H17N5O7S2.

What is the molecular weight of cefotaxime?

The molecular weight of cefotaxime is 455.05695 g/mol.

Where can I buy cefotaxime?

You can request a quote for cefotaxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for cefotaxime?

Yes, CoreyChem provides custom synthesis services for cefotaxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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