5'-S-Propargyl-5'-thioadenosine
TL;DR: 5'-S-Propargyl-5'-thioadenosine (CAS 244126-08-7) is a chemical compound with molecular formula C13H15N5O3S and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 5'-S-Propargyl-5'-thioadenosine, adenosine, 5'-S-1-propynyl-5'-thio-, 5 -(Propargylthio)-5 -deoxyadenosine, J1.583.398J, (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)oxolane-3,4-diol
| Molecular Formula | C13H15N5O3S |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.08957 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 244126-08-7 |
|---|---|
| SMILES | C#CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | XBXUKPOCALYIGN-QYVSTXNMSA-N |
Product Overview
5'-S-Propargyl-5'-thioadenosine (CAS 244126-08-7), with molecular formula C13H15N5O3S and molecular weight 321.09 g/mol. IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 5'-S-Propargyl-5'-thioadenosine
Property Insights of 5'-S-Propargyl-5'-thioadenosine
The XLogP value of -0.2 indicates that 5'-S-Propargyl-5'-thioadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 5'-S-Propargyl-5'-thioadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-S-Propargyl-5'-thioadenosine has 3 hydrogen bond donor(s) and 8 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 5'-S-Propargyl-5'-thioadenosine?
The CAS number of 5'-S-Propargyl-5'-thioadenosine is 244126-08-7.
What is the molecular formula of 5'-S-Propargyl-5'-thioadenosine?
The molecular formula of 5'-S-Propargyl-5'-thioadenosine is C13H15N5O3S.
What is the molecular weight of 5'-S-Propargyl-5'-thioadenosine?
The molecular weight of 5'-S-Propargyl-5'-thioadenosine is 321.09 g/mol.
Where can I buy 5'-S-Propargyl-5'-thioadenosine?
You can request a quote for 5'-S-Propargyl-5'-thioadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-S-Propargyl-5'-thioadenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-S-Propargyl-5'-thioadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.