Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester
TL;DR: Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester (CAS 100565-78-4) is a chemical compound with molecular formula C26H44N4O3S and molecular weight 492.31342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate
Also Known As: Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester, Ethyl ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)acetate, 2-Methyl-3-n-hexadecyloxy-7-(ethoxycarbonylmethylthio)pyrazolo(4,3-d)pyrimidine, ethyl 2-(3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate, Acetic acid,[[3-(hexadecyloxy)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-, ethylester (9CI)
Technical Specifications
| Molecular Formula | C26H44N4O3S |
| Molecular Weight | 492.31342 g/mol |
| XLogP | 9.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 492.31342 Da |
| Heavy Atoms | 34 |
| Complexity | 528.0 |
| SMILES | CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC |
| InChIKey | QZEXOWVWDVPNGK-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester
Property Insights of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester
The XLogP value of 9.1 indicates that Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester?
The CAS number of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester is 100565-78-4.
What is the molecular formula of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester?
The molecular formula of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester is C26H44N4O3S.
What is the molecular weight of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester?
The molecular weight of Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester is 492.31342 g/mol.
Where can I buy Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester?
You can request a quote for Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((3-(hexadecyloxy)-2-methyl-2H-pyrazolo(4,3)pyrimidin-7-yl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.