Benzathine cefotaxime
TL;DR: Benzathine cefotaxime (CAS 127627-69-4) is a chemical compound with molecular formula C48H54N12O14S4 and molecular weight 1150.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-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);N,N'-dibenzylethane-1,2-diamine
Also Known As: Benzathine cefotaxime, BCTX, (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-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;N,N'-dibenzylethane-1,2-diamine, (1R,2S,3S,5S)-3-(4-Fluoro-phenyl)-8-propyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester, (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N-dibenzylethane-1,2-diamine
| Molecular Formula | C48H54N12O14S4 |
|---|---|
| Molecular Weight | 1150.28 g/mol |
| LogP | 1.321 |
| Topological Polar Surface Area | 371.08 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 21 |
| Exact Mass | 1150.2765 |
| Heavy Atoms | 78 |
| Complexity | 2791.5337 |
Chemical Identifiers
| CAS Number | 127627-69-4 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O.CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
Product Overview
Benzathine cefotaxime (CAS 127627-69-4), with molecular formula C48H54N12O14S4 and molecular weight 1150.28 g/mol. IUPAC: bis((6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-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);N,N'-dibenzylethane-1,2-diamine.
Chemical Property Profile of Benzathine cefotaxime
Property Insights of Benzathine cefotaxime
The XLogP value of 1.321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzathine cefotaxime. The TPSA of 371.08 Ų indicates high polarity, suggesting Benzathine cefotaxime may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzathine cefotaxime has 8 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzathine cefotaxime?
The CAS number of Benzathine cefotaxime is 127627-69-4.
What is the molecular formula of Benzathine cefotaxime?
The molecular formula of Benzathine cefotaxime is C48H54N12O14S4.
What is the molecular weight of Benzathine cefotaxime?
The molecular weight of Benzathine cefotaxime is 1150.28 g/mol.
Where can I buy Benzathine cefotaxime?
You can request a quote for Benzathine cefotaxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzathine cefotaxime?
Yes, KEHONG BIO provides custom synthesis services for Benzathine cefotaxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.