Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate
TL;DR: Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate (CAS 646509-89-9) is a chemical compound with molecular formula C23H30N4O2S and molecular weight 426.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-(6-decylsulfanylpurin-9-yl)acetate
Also Known As: phenyl 2-(6-decylsulfanylpurin-9-yl)acetate, 9-Purine acetic acid,6-decylthiophenylester, 9-Purine acetic acid, 6-decylthiophenylester, Phenyl [6-(decylsulfanyl)-9H-purin-9-yl]acetate, 9H-Purine-9-acetic acid, 6-(decylthio)-, phenyl ester
| Molecular Formula | C23H30N4O2S |
|---|---|
| Molecular Weight | 426.21 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 426.20895 |
| Heavy Atoms | 30 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 646509-89-9 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OC3=CC=CC=C3 |
| InChIKey | PDVPCNSSRSZTSA-UHFFFAOYSA-N |
Product Overview
Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate (CAS 646509-89-9), with molecular formula C23H30N4O2S and molecular weight 426.21 g/mol. IUPAC: phenyl 2-(6-decylsulfanylpurin-9-yl)acetate.
Chemical Property Profile of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate
Property Insights of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate
The XLogP value of 7.0 indicates that Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate. Following Lipinski's Rule of Five, Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate?
The CAS number of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate is 646509-89-9.
What is the molecular formula of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate?
The molecular formula of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate is C23H30N4O2S.
What is the molecular weight of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate?
The molecular weight of Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate is 426.21 g/mol.
Where can I buy Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate?
You can request a quote for Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-(6-decylsulfanylpurin-9-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.