6-S-((4-Chlorophenyl)methyl)-6-thioinosine
TL;DR: 6-S-((4-Chlorophenyl)methyl)-6-thioinosine (CAS 51375-21-4) is a chemical compound with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 6-S-((4-Chlorophenyl)methyl)-6-thioinosine, Inosine, 6-S-((4-chlorophenyl)methyl)-6-thio-, 6-{[(4-Chlorophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-purine, (2R,3R,4S,5R)-2-(6-((4-Chlorobenzyl)thio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 6-{[(4-Chlorophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine
| Molecular Formula | C17H17ClN4O4S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.06592 |
| Heavy Atoms | 27 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 51375-21-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl |
| InChIKey | BPVJDWGCBDOOLG-LSCFUAHRSA-N |
Product Overview
6-S-((4-Chlorophenyl)methyl)-6-thioinosine (CAS 51375-21-4), with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 6-S-((4-Chlorophenyl)methyl)-6-thioinosine
Property Insights of 6-S-((4-Chlorophenyl)methyl)-6-thioinosine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-S-((4-Chlorophenyl)methyl)-6-thioinosine. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-S-((4-Chlorophenyl)methyl)-6-thioinosine. Following Lipinski's Rule of Five, 6-S-((4-Chlorophenyl)methyl)-6-thioinosine has 3 hydrogen bond donor(s) and 8 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-S-((4-Chlorophenyl)methyl)-6-thioinosine?
The CAS number of 6-S-((4-Chlorophenyl)methyl)-6-thioinosine is 51375-21-4.
What is the molecular formula of 6-S-((4-Chlorophenyl)methyl)-6-thioinosine?
The molecular formula of 6-S-((4-Chlorophenyl)methyl)-6-thioinosine is C17H17ClN4O4S.
What is the molecular weight of 6-S-((4-Chlorophenyl)methyl)-6-thioinosine?
The molecular weight of 6-S-((4-Chlorophenyl)methyl)-6-thioinosine is 408.07 g/mol.
Where can I buy 6-S-((4-Chlorophenyl)methyl)-6-thioinosine?
You can request a quote for 6-S-((4-Chlorophenyl)methyl)-6-thioinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-S-((4-Chlorophenyl)methyl)-6-thioinosine?
Yes, KEHONG BIO provides custom synthesis services for 6-S-((4-Chlorophenyl)methyl)-6-thioinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.