2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine
TL;DR: 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine (CAS 52049-48-6) is a chemical compound with molecular formula C16H23N5O5S and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
Also Known As: 2-methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine, Adenosine, N-[(2Z)-4-hydroxy-3-methyl-2-butenyl]-2-(methylthio)-
| Molecular Formula | C16H23N5O5S |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.142 |
| Heavy Atoms | 27 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 52049-48-6 |
|---|---|
| SMILES | CC(=CCNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO |
| InChIKey | QEWSGVMSLPHELX-SDBHATRESA-N |
Product Overview
2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine (CAS 52049-48-6), with molecular formula C16H23N5O5S and molecular weight 397.14 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine
Property Insights of 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine. The TPSA of 171.0 Ų indicates high polarity, suggesting 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine has 5 hydrogen bond donor(s) and 10 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-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine?
The CAS number of 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine is 52049-48-6.
What is the molecular formula of 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine?
The molecular formula of 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine is C16H23N5O5S.
What is the molecular weight of 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine?
The molecular weight of 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine is 397.14 g/mol.
Where can I buy 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine?
You can request a quote for 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylthio-n6-(4-hydroxy-3-methylbut-2-enyl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.