cefsulodin
TL;DR: cefsulodin (CAS 52152-93-9) is a chemical compound with molecular formula C22H21N4O8S2+ and molecular weight 533.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefsulodin, (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 4-carbamoyl-1-{[(6r,7r)-2-carboxy-8-oxo-7-{[phenyl(sulfo)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridinium
| Molecular Formula | C22H21N4O8S2+ |
|---|---|
| Molecular Weight | 533.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.0801 |
| Heavy Atoms | 36 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 52152-93-9 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N |
| InChIKey | SYLKGLMBLAAGSC-IKZMBGHXSA-O |
Product Overview
cefsulodin (CAS 52152-93-9), with molecular formula C22H21N4O8S2+ and molecular weight 533.08 g/mol. IUPAC: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-phenyl-2-sulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of cefsulodin
Property Insights of cefsulodin
The XLogP value of -0.5 indicates that cefsulodin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.0 Ų indicates high polarity, suggesting cefsulodin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cefsulodin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cefsulodin?
The CAS number of cefsulodin is 52152-93-9.
What is the molecular formula of cefsulodin?
The molecular formula of cefsulodin is C22H21N4O8S2+.
What is the molecular weight of cefsulodin?
The molecular weight of cefsulodin is 533.08 g/mol.
Where can I buy cefsulodin?
You can request a quote for cefsulodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cefsulodin?
Yes, KEHONG BIO provides custom synthesis services for cefsulodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.