(4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol
TL;DR: (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol (CAS 244126-06-5) is a chemical compound with molecular formula C12H15N5O3S and molecular weight 309.09 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-(ethenylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 5'-S-ethenyl-5'-thio-Adenosine, adenosine, 5'-S-ethenyl-5'-thio-, 5 -(Vinylthio)-5 -deoxyadenosine, J1.160.366A, (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(ethenylsulfanyl)methyl]oxolane-3,4-diol
| Molecular Formula | C12H15N5O3S |
|---|---|
| Molecular Weight | 309.09 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 | 309.08957 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 244126-06-5 |
|---|---|
| SMILES | C=CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | RFZKENQHTFFJDA-WOUKDFQISA-N |
Product Overview
(4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol (CAS 244126-06-5), with molecular formula C12H15N5O3S and molecular weight 309.09 g/mol. IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(ethenylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol
Property Insights of (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol. The TPSA of 145.0 Ų indicates high polarity, suggesting (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol 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 (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol?
The CAS number of (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol is 244126-06-5.
What is the molecular formula of (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol?
The molecular formula of (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol is C12H15N5O3S.
What is the molecular weight of (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol?
The molecular weight of (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol is 309.09 g/mol.
Where can I buy (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol?
You can request a quote for (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for (4S,5S,2R,3R)-2-(6-Aminopurin-9-yl)-5-(vinylthiomethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.