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Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate
TL;DR: Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate (CAS 100565-89-7) is a chemical compound with molecular formula C28H46N4O3S and molecular weight 518.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate
Also Known As: 2-Methyl-3-oleyloxy-7-(ethoxycarbonylmethylthio)pyrazolo(4,3-d)pyrimidine, Acetic acid,[[2-methyl-3-(9-octadecenyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-, ethylester (9CI), Acetic acid, ((2-methyl-3-(9-octadecenyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-, ethyl ester, (Z)-
| Molecular Formula | C28H46N4O3S |
|---|---|
| Molecular Weight | 518.33 g/mol |
| LogP | 7.4348 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 518.32904 |
| Heavy Atoms | 36 |
| Complexity | 900.2923 |
Chemical Identifiers
| CAS Number | 100565-89-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC |
Product Overview
Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate (CAS 100565-89-7), with molecular formula C28H46N4O3S and molecular weight 518.33 g/mol. IUPAC: ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate
Property Insights of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate
The XLogP value of 7.4348 indicates that Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate?
The CAS number of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate is 100565-89-7.
What is the molecular formula of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate?
The molecular formula of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate is C28H46N4O3S.
What is the molecular weight of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate?
The molecular weight of Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate is 518.33 g/mol.
Where can I buy Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate?
You can request a quote for Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-methyl-3-octadec-9-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.