![Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) structure](/static/products/1005/100565-92-2.webp)
Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)
TL;DR: Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) (CAS 100565-92-2) is a chemical compound with molecular formula C28H42N4O3S and molecular weight 514.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-3-octadeca-9,12,15-trienoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate
Also Known As: Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI), 2-Methyl-3-linolenyloxy-7-(ethoxycarbonylmethylthio)pyrazolo(4,3-d)pyrimidine, Acetic acid, ((2-methyl-3-(9,12,15-octadecadienyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-,ethyl ester, Acetic acid, [[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-, ethyl ester (9CI)
| Molecular Formula | C28H42N4O3S |
|---|---|
| Molecular Weight | 514.30 g/mol |
| LogP | 6.9868 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 514.2978 |
| Heavy Atoms | 36 |
| Complexity | 984.57526 |
Chemical Identifiers
| CAS Number | 100565-92-2 |
|---|---|
| SMILES | CCC=CCC=CCC=CCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC |
Product Overview
Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) (CAS 100565-92-2), with molecular formula C28H42N4O3S and molecular weight 514.30 g/mol. IUPAC: ethyl 2-(2-methyl-3-octadeca-9,12,15-trienoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate.
Chemical Property Profile of Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)
Property Insights of Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)
The XLogP value of 6.9868 indicates that Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) 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 Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI). Following Lipinski's Rule of Five, Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) 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 Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)?
The CAS number of Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) is 100565-92-2.
What is the molecular formula of Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)?
The molecular formula of Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) is C28H42N4O3S.
What is the molecular weight of Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)?
The molecular weight of Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) is 514.30 g/mol.
Where can I buy Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)?
You can request a quote for Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid,[[2-methyl-3-(9,12,15-octadecatrienyloxy)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]thio]-,ethyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.