9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺
TL;DR: 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 (CAS 2457-80-9) 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.
9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺
2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Also Known As: Methylthioadenosine, Xylo-mta, MeSAdo, 5'-methylthioadenosine, 9-Dmxa
| 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 | 2457-80-9 |
|---|---|
| SMILES | CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | WUUGFSXJNOTRMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 (CAS 2457-80-9), with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol. IUPAC: 2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺
Property Insights of 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺
The XLogP value of -0.3 indicates that 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 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-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 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-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺?
The CAS number of 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 is 2457-80-9.
What is the molecular formula of 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺?
The molecular formula of 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 is C11H15N5O3S.
What is the molecular weight of 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺?
The molecular weight of 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 is 297.09 g/mol.
Where can I buy 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺?
You can request a quote for 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺?
Yes, KEHONG BIO provides custom synthesis services for 9-(5-S-甲基-5-硫戊呋喃糖基)-9H-嘌呤-6-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.