Ademetionine disulfate tosylate
TL;DR: Ademetionine disulfate tosylate (CAS 97540-22-2) is a chemical compound with molecular formula C22H31N6O16S4-3 and molecular weight 763.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;hydrogen sulfate;4-methylbenzenesulfonate;sulfate
Also Known As: Ademetionine disulfate tosylate, Adenosylmethionine tosylate bis(sulfate), S-Adenosyl-L-methionine sulfate tosylate, [(3S)-3-amino-4-hydroxy-4-oxobutyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium; hydrogen sulfate; 4-methylbenzenesulfonate; sulfate, Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, (S)-, salt with 4-methylbenzenesulfonic acid, sulfate (salt) (1:1:2)
| Molecular Formula | C22H31N6O16S4-3 |
|---|---|
| Molecular Weight | 763.07 g/mol |
| LogP | -3.35648 |
| Topological Polar Surface Area | 424.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 763.06793 |
| Heavy Atoms | 48 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 97540-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-] |
| InChIKey | XDCFCHNAIMYBAZ-XQVUROGGSA-K |
Product Overview
Ademetionine disulfate tosylate (CAS 97540-22-2), with molecular formula C22H31N6O16S4-3 and molecular weight 763.07 g/mol. IUPAC: [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;hydrogen sulfate;4-methylbenzenesulfonate;sulfate.
Chemical Property Profile of Ademetionine disulfate tosylate
Property Insights of Ademetionine disulfate tosylate
The XLogP value of -3.35648 indicates that Ademetionine disulfate tosylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 424.0 Ų indicates high polarity, suggesting Ademetionine disulfate tosylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ademetionine disulfate tosylate has 6 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ademetionine disulfate tosylate?
The CAS number of Ademetionine disulfate tosylate is 97540-22-2.
What is the molecular formula of Ademetionine disulfate tosylate?
The molecular formula of Ademetionine disulfate tosylate is C22H31N6O16S4-3.
What is the molecular weight of Ademetionine disulfate tosylate?
The molecular weight of Ademetionine disulfate tosylate is 763.07 g/mol.
Where can I buy Ademetionine disulfate tosylate?
You can request a quote for Ademetionine disulfate tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ademetionine disulfate tosylate?
Yes, KEHONG BIO provides custom synthesis services for Ademetionine disulfate tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.