5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine
TL;DR: 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine (CAS 134782-20-0) is a chemical compound with molecular formula C13H18FN5O3S and molecular weight 343.11145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(3-fluoropropylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 5-Dmeta, Adenosine,5'-S-(3-fluoropropyl)-5'-thio, 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine, 5/'-deoxy-5/'-((2-monofluoroethyl)thio)adenosine, Adenosine, 5'-S-(3-fluoropropyl)-5'-thio-
Technical Specifications
| Molecular Formula | C13H18FN5O3S |
| Molecular Weight | 343.11145 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.11145 Da |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CSCCCF)O)O)N |
| InChIKey | UWHBOQMWBBJYCL-RJNFYWFKSA-N |
Chemical Property Profile of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine
Property Insights of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine. The TPSA of 145.0 Ų indicates high polarity, suggesting 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine?
The CAS number of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine is 134782-20-0.
What is the molecular formula of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine?
The molecular formula of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine is C13H18FN5O3S.
What is the molecular weight of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine?
The molecular weight of 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine is 343.11145 g/mol.
Where can I buy 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine?
You can request a quote for 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine?
Yes, CoreyChem provides custom synthesis services for 5'-Deoxy-5'-((2-monofluoroethyl)thio)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.