RefChem:1075512
TL;DR: RefChem:1075512 (CAS 100566-22-1) is a chemical compound with molecular formula C28H42N4O3S and molecular weight 514.2978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-methyl-3-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate
Also Known As: 2-(4-t-butylbenzyloxy)ethyl p-toluenesulfonate, 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, ethyl 2-[2-methyl-3-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate, 2-Methyl-3-n-hexadecyloxy-7-isopropoxycarbonylmethylthio-pyrazolo[4,3-d]pyrimidine
Technical Specifications
| Molecular Formula | C28H42N4O3S |
| Molecular Weight | 514.2978 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 514.2978 Da |
| Heavy Atoms | 36 |
| Complexity | 673.0 |
| SMILES | CC/C=C/C/C=C/C/C=C/CCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC |
| InChIKey | PWQLYBNUENGOBU-YHTMAJSVSA-N |
Chemical Property Profile of RefChem:1075512
Property Insights of RefChem:1075512
The XLogP value of 7.9 indicates that RefChem:1075512 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 RefChem:1075512. Following Lipinski's Rule of Five, RefChem:1075512 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 RefChem:1075512?
The CAS number of RefChem:1075512 is 100566-22-1.
What is the molecular formula of RefChem:1075512?
The molecular formula of RefChem:1075512 is C28H42N4O3S.
What is the molecular weight of RefChem:1075512?
The molecular weight of RefChem:1075512 is 514.2978 g/mol.
Where can I buy RefChem:1075512?
You can request a quote for RefChem:1075512 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075512?
Yes, CoreyChem provides custom synthesis services for RefChem:1075512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.