CS 461
TL;DR: CS 461 (CAS 115948-58-8) is a chemical compound with molecular formula C20H24N6O10S4 and molecular weight 636.0437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate
Also Known As: CS 461, T31104
Technical Specifications
| Molecular Formula | C20H24N6O10S4 |
| Molecular Weight | 636.0437 g/mol |
| XLogP | -1.28858 |
| Topological Polar Surface Area (TPSA) | 339.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 636.0437 Da |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
| SMILES | CC1=C(SC=[N+]1CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O)CCO.OS(=O)(=O)[O-] |
| InChIKey | WNNXOUAREUXOEN-LPEJILKGSA-N |
Chemical Property Profile of CS 461
Property Insights of CS 461
The XLogP value of -1.28858 indicates that CS 461 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting CS 461 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CS 461 has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CS 461?
The CAS number of CS 461 is 115948-58-8.
What is the molecular formula of CS 461?
The molecular formula of CS 461 is C20H24N6O10S4.
What is the molecular weight of CS 461?
The molecular weight of CS 461 is 636.0437 g/mol.
Where can I buy CS 461?
You can request a quote for CS 461 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CS 461?
Yes, CoreyChem provides custom synthesis services for CS 461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.