5'-Methylthio-5'-deoxy-9-deazaadenosine
TL;DR: 5'-Methylthio-5'-deoxy-9-deazaadenosine (CAS 106175-18-2) is a chemical compound with molecular formula C12H16N4O3S and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Also Known As: Mtc-9-ado, 5'-Methylthio-5'-deoxy-9-deazaadenosine, 5/'-Methylthio-5/'-deoxy-9-deazaadenosine, (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol, 1-(5-S-Methyl-5-thio-beta-D-ribofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine
| Molecular Formula | C12H16N4O3S |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0943 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 106175-18-2 |
|---|---|
| SMILES | CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C=CN=C3N)O)O |
| InChIKey | RMTSYBYCOARJOP-UGKPPGOTSA-N |
Product Overview
5'-Methylthio-5'-deoxy-9-deazaadenosine (CAS 106175-18-2), with molecular formula C12H16N4O3S and molecular weight 296.09 g/mol. IUPAC: (2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 5'-Methylthio-5'-deoxy-9-deazaadenosine
Property Insights of 5'-Methylthio-5'-deoxy-9-deazaadenosine
The XLogP value of -0.8 indicates that 5'-Methylthio-5'-deoxy-9-deazaadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Methylthio-5'-deoxy-9-deazaadenosine. Following Lipinski's Rule of Five, 5'-Methylthio-5'-deoxy-9-deazaadenosine 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 5'-Methylthio-5'-deoxy-9-deazaadenosine?
The CAS number of 5'-Methylthio-5'-deoxy-9-deazaadenosine is 106175-18-2.
What is the molecular formula of 5'-Methylthio-5'-deoxy-9-deazaadenosine?
The molecular formula of 5'-Methylthio-5'-deoxy-9-deazaadenosine is C12H16N4O3S.
What is the molecular weight of 5'-Methylthio-5'-deoxy-9-deazaadenosine?
The molecular weight of 5'-Methylthio-5'-deoxy-9-deazaadenosine is 296.09 g/mol.
Where can I buy 5'-Methylthio-5'-deoxy-9-deazaadenosine?
You can request a quote for 5'-Methylthio-5'-deoxy-9-deazaadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Methylthio-5'-deoxy-9-deazaadenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-Methylthio-5'-deoxy-9-deazaadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.