6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine
TL;DR: 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine (CAS 4425-07-4) is a chemical compound with molecular formula C17H17FN4O4S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-benzylsulfanyl-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: NCIOpen2_009694, 6-(benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine, 2-(6-benzylsulfanyl-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C17H17FN4O4S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.09546 |
| Heavy Atoms | 27 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 4425-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)F |
| InChIKey | VCRUCRQMQNMLHN-UHFFFAOYSA-N |
Product Overview
6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine (CAS 4425-07-4), with molecular formula C17H17FN4O4S and molecular weight 392.10 g/mol. IUPAC: 2-(6-benzylsulfanyl-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine
Property Insights of 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine. Following Lipinski's Rule of Five, 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine has 3 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-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine?
The CAS number of 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine is 4425-07-4.
What is the molecular formula of 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine?
The molecular formula of 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine is C17H17FN4O4S.
What is the molecular weight of 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine?
The molecular weight of 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine is 392.10 g/mol.
Where can I buy 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine?
You can request a quote for 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylsulfanyl)-2-fluoro-9-pentofuranosyl-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.