S-Adenosylethionine
TL;DR: S-Adenosylethionine (CAS 524-70-9) is a chemical compound with molecular formula C16H24N6O5S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylsulfonio]butanoate
Also Known As: S-Adenosylethionine, AdoEth, 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylsulfonio]butanoate, (S)-5'-((3-Amino-3-carboxypropyl)ethylsulfonio)-5'-deoxyadenosine inner salt, (X)-Adenosin-5'-yl-aethyl-((S)-3-amino-3-carboxy-propyl)-sulfonium-betain
| Molecular Formula | C16H24N6O5S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.1529 |
| Heavy Atoms | 28 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 524-70-9 |
|---|---|
| SMILES | CC[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | UBQZUBPODLPCFG-UHFFFAOYSA-N |
Product Overview
S-Adenosylethionine (CAS 524-70-9), with molecular formula C16H24N6O5S and molecular weight 412.15 g/mol. IUPAC: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylsulfonio]butanoate.
Chemical Property Profile of S-Adenosylethionine
Property Insights of S-Adenosylethionine
The XLogP value of -2.5 indicates that S-Adenosylethionine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 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 524-70-9.
What is the molecular formula of S-Adenosylethionine?
The molecular formula of S-Adenosylethionine is C16H24N6O5S.
What is the molecular weight of S-Adenosylethionine?
The molecular weight of S-Adenosylethionine is 412.15 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.