![9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- structure](/static/products/3424/3424-77-9.webp)
9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-
TL;DR: 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- (CAS 3424-77-9) is a chemical compound with molecular formula C14H13ClN4OS and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[(2-chlorophenyl)methylsulfanyl]purin-9-yl]ethanol
Also Known As: NCIOpen2_007531, 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-, 2-{6-[(2-chlorobenzyl)sulfanyl]-9h-purin-9-yl}ethanol, 2-(6-((2-Chlorobenzyl)thio)-9H-purin-9-yl)ethanol, 2-(6-((2-chlorobenzyl)thio)-9H-purin-9-yl)ethan-1-ol
| Molecular Formula | C14H13ClN4OS |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.04987 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 3424-77-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCO)Cl |
| InChIKey | FDBBNJRXRVPHMA-UHFFFAOYSA-N |
Product Overview
9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- (CAS 3424-77-9), with molecular formula C14H13ClN4OS and molecular weight 320.05 g/mol. IUPAC: 2-[6-[(2-chlorophenyl)methylsulfanyl]purin-9-yl]ethanol.
Chemical Property Profile of 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-
Property Insights of 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-. Following Lipinski's Rule of Five, 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- has 1 hydrogen bond donor(s) and 5 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 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-?
The CAS number of 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- is 3424-77-9.
What is the molecular formula of 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-?
The molecular formula of 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- is C14H13ClN4OS.
What is the molecular weight of 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-?
The molecular weight of 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- is 320.05 g/mol.
Where can I buy 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-?
You can request a quote for 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-9-ethanol,6-[[(2-chlorophenyl)methyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.