![2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine structure](/static/products/5654/565435-03-2.webp)
2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine
TL;DR: 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine (CAS 565435-03-2) is a chemical compound with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(3-methylsulfanylanilino)purin-9-yl]oxolane-3,4-diol
Also Known As: 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine, Adenosine, 2'-C-methyl-N-[3-(methylthio)phenyl]-, (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(3-methylsulfanylanilino)purin-9-yl]oxolane-3,4-diol, (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(3-methylsulfanylanilino)purin-9-yl]tetrahydrofuran-3,4-diol, 5-Hydroxymethyl-3-methyl-2-[6-(3-methylsulfanyl-phenylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
| Molecular Formula | C18H21N5O4S |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 1.2934 |
| Topological Polar Surface Area | 125.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.13144 |
| Heavy Atoms | 28 |
| Complexity | 995.02136 |
Chemical Identifiers
| CAS Number | 565435-03-2 |
|---|---|
| SMILES | C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC4=CC(=CC=C4)SC)CO)O)O |
Product Overview
2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine (CAS 565435-03-2), with molecular formula C18H21N5O4S and molecular weight 403.13 g/mol. IUPAC: (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(3-methylsulfanylanilino)purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine
Property Insights of 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine
The XLogP value of 1.2934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine. The TPSA of 125.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine. Following Lipinski's Rule of Five, 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine 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'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine?
The CAS number of 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine is 565435-03-2.
What is the molecular formula of 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine?
The molecular formula of 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine is C18H21N5O4S.
What is the molecular weight of 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine?
The molecular weight of 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine is 403.13 g/mol.
Where can I buy 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine?
You can request a quote for 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2'-C-methyl-N-[3-(methylthio)phenyl]-Adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.