S-methyl-5'-methylthioadenosine
TL;DR: S-methyl-5'-methylthioadenosine (CAS 19300-65-3) is a chemical compound with molecular formula C12H18N5O3S+ and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium
Also Known As: S-adenosylmethionine, S-Methyl-5'-methylthioadenosine, Adenosyldimethylsulfonium, AdoMet substrate analogue, 25d, (5 -Adenosyl)dimethylsulfonium
| Molecular Formula | C12H18N5O3S+ |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.11304 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 19300-65-3 |
|---|---|
| SMILES | C[S+](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | DVNIRPKXKMIDQU-WOUKDFQISA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-methyl-5'-methylthioadenosine (CAS 19300-65-3), with molecular formula C12H18N5O3S+ and molecular weight 312.11 g/mol. IUPAC: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium.
Chemical Property Profile of S-methyl-5'-methylthioadenosine
Property Insights of S-methyl-5'-methylthioadenosine
The XLogP value of -0.3 indicates that S-methyl-5'-methylthioadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-methyl-5'-methylthioadenosine. Following Lipinski's Rule of Five, S-methyl-5'-methylthioadenosine has 3 hydrogen bond donor(s) and 7 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 S-methyl-5'-methylthioadenosine?
The CAS number of S-methyl-5'-methylthioadenosine is 19300-65-3.
What is the molecular formula of S-methyl-5'-methylthioadenosine?
The molecular formula of S-methyl-5'-methylthioadenosine is C12H18N5O3S+.
What is the molecular weight of S-methyl-5'-methylthioadenosine?
The molecular weight of S-methyl-5'-methylthioadenosine is 312.11 g/mol.
Where can I buy S-methyl-5'-methylthioadenosine?
You can request a quote for S-methyl-5'-methylthioadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl-5'-methylthioadenosine?
Yes, KEHONG BIO provides custom synthesis services for S-methyl-5'-methylthioadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.