2-Methylthioadenosine
TL;DR: 2-Methylthioadenosine (CAS 4105-39-9) is a chemical compound with molecular formula C11H15N5O4S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-Methylthioadenosine, 2-(Methylthio)adenosine, 2-MeS-adenosine, 2-methylthioade-nosine, 2-Methylthio-D-adenosine
| Molecular Formula | C11H15N5O4S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | -1.2581 |
| Topological Polar Surface Area | 139.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.08447 |
| Heavy Atoms | 21 |
| Complexity | 665.3462 |
Chemical Identifiers
| CAS Number | 4105-39-9 |
|---|---|
| SMILES | CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
Product Overview
2-Methylthioadenosine (CAS 4105-39-9), with molecular formula C11H15N5O4S and molecular weight 313.08 g/mol. IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-Methylthioadenosine
Property Insights of 2-Methylthioadenosine
The XLogP value of -1.2581 indicates that 2-Methylthioadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylthioadenosine. Following Lipinski's Rule of Five, 2-Methylthioadenosine has 4 hydrogen bond donor(s) and 9 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 2-Methylthioadenosine?
The CAS number of 2-Methylthioadenosine is 4105-39-9.
What is the molecular formula of 2-Methylthioadenosine?
The molecular formula of 2-Methylthioadenosine is C11H15N5O4S.
What is the molecular weight of 2-Methylthioadenosine?
The molecular weight of 2-Methylthioadenosine is 313.08 g/mol.
Where can I buy 2-Methylthioadenosine?
You can request a quote for 2-Methylthioadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylthioadenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylthioadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.