6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
TL;DR: 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine (CAS 152833-16-4) is a chemical compound with molecular formula C14H21N5O4S and molecular weight 355.13144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-amino-6-butylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 6-(butylsulfanyl)-9-pentofuranosyl-9h-purin-2-amine, 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine, 2-(2-amino-6-butylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Technical Specifications
| Molecular Formula | C14H21N5O4S |
| Molecular Weight | 355.13144 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.13144 Da |
| Heavy Atoms | 24 |
| Complexity | 423.0 |
| SMILES | CCCCSC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N |
| InChIKey | BIAKPVRPZJGWSJ-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
Property Insights of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine. The TPSA of 165.0 Ų indicates high polarity, suggesting 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine 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
What is the CAS number of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine?
The CAS number of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine is 152833-16-4.
What is the molecular formula of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine?
The molecular formula of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine is C14H21N5O4S.
What is the molecular weight of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine?
The molecular weight of 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine is 355.13144 g/mol.
Where can I buy 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine?
You can request a quote for 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine?
Yes, CoreyChem provides custom synthesis services for 6-(Butylsulfanyl)-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.