6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)
TL;DR: 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) (CAS 7143-67-1) is a chemical compound with molecular formula C11H16N4O5S and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol;hydrate
Also Known As: Methylthioinosine dihydrate, 6-Methylthio-9-beta-D-ribofuranosyl-9H-purine monohydrate, 9H-Purine, 6-(methylthio)-9-beta-D-ribofuranosyl-, monohydrate, 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1), 9H-Purine, 6-(methylthio)-9-.beta.-D-ribofuranosyl-, dihydrate
| Molecular Formula | C11H16N4O5S |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | -1.67 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.08414 |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 7143-67-1 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CN2[C@H]3C(C([C@H](O3)CO)O)O.O |
| InChIKey | DBJNGORDTSVFFQ-LHPQOZGMSA-N |
Product Overview
6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) (CAS 7143-67-1), with molecular formula C11H16N4O5S and molecular weight 316.08 g/mol. IUPAC: (2R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol;hydrate.
Chemical Property Profile of 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)
Property Insights of 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)
The XLogP value of -1.67 indicates that 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) has 4 hydrogen bond donor(s) and 9 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 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)?
The CAS number of 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) is 7143-67-1.
What is the molecular formula of 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)?
The molecular formula of 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) is C11H16N4O5S.
What is the molecular weight of 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)?
The molecular weight of 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) is 316.08 g/mol.
Where can I buy 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)?
You can request a quote for 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 6-(Methylsulfanyl)-9-pentofuranosyl-9H-purine--water (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.