S-Adenosylethionine
TL;DR: S-Adenosylethionine (CAS 26892-00-2) is a chemical compound with molecular formula C15H22N6O5S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-ethylsulfonio]butanoate
Also Known As: S-Adenosylethionine, Glycerol propionate, Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt, 2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-ethylsulfonio]butanoate, 2-Amino-4-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl](ethyl)sulfaniumyl}butanoate
| Molecular Formula | C15H22N6O5S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | -2.9093 |
| Topological Polar Surface Area | 185.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.13724 |
| Heavy Atoms | 27 |
| Complexity | 819.09143 |
Chemical Identifiers
| CAS Number | 26892-00-2 |
|---|---|
| SMILES | CC[S+](CCC(C(=O)[O-])N)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
Product Overview
S-Adenosylethionine (CAS 26892-00-2), with molecular formula C15H22N6O5S and molecular weight 398.14 g/mol. IUPAC: 2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-ethylsulfonio]butanoate.
Chemical Property Profile of S-Adenosylethionine
Property Insights of S-Adenosylethionine
The XLogP value of -2.9093 indicates that S-Adenosylethionine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.46 Ų indicates high polarity, suggesting S-Adenosylethionine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-Adenosylethionine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Adenosylethionine?
The CAS number of S-Adenosylethionine is 26892-00-2.
What is the molecular formula of S-Adenosylethionine?
The molecular formula of S-Adenosylethionine is C15H22N6O5S.
What is the molecular weight of S-Adenosylethionine?
The molecular weight of S-Adenosylethionine is 398.14 g/mol.
Where can I buy S-Adenosylethionine?
You can request a quote for S-Adenosylethionine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Adenosylethionine?
Yes, KEHONG BIO provides custom synthesis services for S-Adenosylethionine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.