9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine
TL;DR: 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine (CAS 53458-28-9) is a chemical compound with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Also Known As: Xylo-mta, 9-Dmxa, Xylosyl-methylthio-adenosine, 5'-methylthioadenosine, 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine
| Molecular Formula | C11H15N5O3S |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.08957 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 53458-28-9 |
|---|---|
| SMILES | CSC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | WUUGFSXJNOTRMR-ICQCTTRCSA-N |
Product Overview
9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine (CAS 53458-28-9), with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol. IUPAC: (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine
Property Insights of 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine
The XLogP value of -0.3 indicates that 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine 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 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine?
The CAS number of 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine is 53458-28-9.
What is the molecular formula of 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine?
The molecular formula of 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine is C11H15N5O3S.
What is the molecular weight of 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine?
The molecular weight of 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine is 297.09 g/mol.
Where can I buy 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine?
You can request a quote for 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(5'-Deoxy-5'-(methylthio)-xylofuranosyl)adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.