RefChem:1075513
TL;DR: RefChem:1075513 (CAS 100566-10-7) is a chemical compound with molecular formula C28H44N4O3S and molecular weight 516.3134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate
Also Known As: 2-Methyl-3-linoleyloxy-7-(ethoxycarbonylmethylthio)pyrazolo(4,3-d)pyrimidine, Acetic acid, ((2-methyl-3-(9,12-octadecadienyloxy)-2H-pyrazolo(4,3-d)pyrimidin-7-yl)thio)-, ethyl ester, ethyl 2-[2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate, 2-Methyl-3-n-eicosyloxy-7-(1-ethoxycarbonyl-1-methyl-ethylthio)-pyrazolo[4,3-d]pyrimidine
Technical Specifications
| Molecular Formula | C28H44N4O3S |
| Molecular Weight | 516.3134 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 516.3134 Da |
| Heavy Atoms | 36 |
| Complexity | 634.0 |
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC |
| InChIKey | AQRAFDBBIILVJM-OKLKQMLOSA-N |
Chemical Property Profile of RefChem:1075513
Property Insights of RefChem:1075513
The XLogP value of 8.6 indicates that RefChem:1075513 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:1075513. Following Lipinski's Rule of Five, RefChem:1075513 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:1075513?
The CAS number of RefChem:1075513 is 100566-10-7.
What is the molecular formula of RefChem:1075513?
The molecular formula of RefChem:1075513 is C28H44N4O3S.
What is the molecular weight of RefChem:1075513?
The molecular weight of RefChem:1075513 is 516.3134 g/mol.
Where can I buy RefChem:1075513?
You can request a quote for RefChem:1075513 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075513?
Yes, CoreyChem provides custom synthesis services for RefChem:1075513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.