Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
TL;DR: Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester (CAS 133280-18-9) is a chemical compound with molecular formula C25H40N4OS and molecular weight 444.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate
Also Known As: S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) octadecanethioate, Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester, S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate, S-(1-Ethenyl-1H-pyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate, RefChem:366689
| Molecular Formula | C25H40N4OS |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 7.807 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 444.2923 |
| Heavy Atoms | 31 |
| Complexity | 773.96783 |
Chemical Identifiers
| CAS Number | 133280-18-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)SC1=CN=C2C(=N1)C=NN2C=C |
Product Overview
Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester (CAS 133280-18-9), with molecular formula C25H40N4OS and molecular weight 444.29 g/mol. IUPAC: S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) octadecanethioate.
Chemical Property Profile of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
Property Insights of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
The XLogP value of 7.807 indicates that Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester. Following Lipinski's Rule of Five, Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The CAS number of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is 133280-18-9.
What is the molecular formula of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The molecular formula of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is C25H40N4OS.
What is the molecular weight of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The molecular weight of Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is 444.29 g/mol.
Where can I buy Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
You can request a quote for Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.