5'-Deoxy-5'-((monofluoromethyl)thio)adenosine
TL;DR: 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine (CAS 118560-47-7) is a chemical compound with molecular formula C11H14FN5O3S and molecular weight 315.08 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-(fluoromethylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 5'-Dmfta, 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine, 5'-S-(Fluoromethyl)-5'-thioadenosine, Adenosine, 5'-S-(fluoromethyl)-5'-thio-, 5/'-Deoxy-5/'-((monofluoromethyl)thio)adenosine
| Molecular Formula | C11H14FN5O3S |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | -0.3121 |
| Topological Polar Surface Area | 119.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.08014 |
| Heavy Atoms | 21 |
| Complexity | 641.34625 |
Chemical Identifiers
| CAS Number | 118560-47-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCF)O)O)N |
Product Overview
5'-Deoxy-5'-((monofluoromethyl)thio)adenosine (CAS 118560-47-7), with molecular formula C11H14FN5O3S and molecular weight 315.08 g/mol. IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(fluoromethylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine
Property Insights of 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine
The XLogP value of -0.3121 indicates that 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine. Following Lipinski's Rule of Five, 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine 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'-Deoxy-5'-((monofluoromethyl)thio)adenosine?
The CAS number of 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine is 118560-47-7.
What is the molecular formula of 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine?
The molecular formula of 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine is C11H14FN5O3S.
What is the molecular weight of 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine?
The molecular weight of 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine is 315.08 g/mol.
Where can I buy 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine?
You can request a quote for 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-Deoxy-5'-((monofluoromethyl)thio)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.