Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate
TL;DR: Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate (CAS 646509-87-7) is a chemical compound with molecular formula C24H32N4O2S and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(6-decylsulfanylpurin-9-yl)acetate
Also Known As: benzyl 2-(6-decylsulfanylpurin-9-yl)acetate, 9-Purine acetic acid,6-decylthio-,benzyl ester, 9-Purine acetic acid, 6-decylthio-, benzyl ester, Benzyl [6-(decylsulfanyl)-9H-purin-9-yl]acetate, 9H-Purine-9-acetic acid, 6-(decylthio)-, phenylmethyl ester
| Molecular Formula | C24H32N4O2S |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 440.2246 |
| Heavy Atoms | 31 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 646509-87-7 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC3=CC=CC=C3 |
| InChIKey | YOFCGHGLNIHIJD-UHFFFAOYSA-N |
Product Overview
Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate (CAS 646509-87-7), with molecular formula C24H32N4O2S and molecular weight 440.22 g/mol. IUPAC: benzyl 2-(6-decylsulfanylpurin-9-yl)acetate.
Chemical Property Profile of Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate
Property Insights of Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate
The XLogP value of 6.9 indicates that Benzyl 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 Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate?
The CAS number of Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate is 646509-87-7.
What is the molecular formula of Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate?
The molecular formula of Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate is C24H32N4O2S.
What is the molecular weight of Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate?
The molecular weight of Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate is 440.22 g/mol.
Where can I buy Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate?
You can request a quote for Benzyl 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 Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(6-decylsulfanylpurin-9-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.