Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
TL;DR: Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester (CAS 133280-16-7) is a chemical compound with molecular formula C13H16N4OS and molecular weight 276.10 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) hexanethioate
Also Known As: S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) hexanethioate, Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester, S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) hexanethioate, S-(1-Ethenyl-1H-pyrazolo[3,4-b]pyrazin-5-yl) hexanethioate, RefChem:347644
| Molecular Formula | C13H16N4OS |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 3.1258 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.1045 |
| Heavy Atoms | 19 |
| Complexity | 593.34076 |
Chemical Identifiers
| CAS Number | 133280-16-7 |
|---|---|
| SMILES | CCCCCC(=O)SC1=CN=C2C(=N1)C=NN2C=C |
Product Overview
Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester (CAS 133280-16-7), with molecular formula C13H16N4OS and molecular weight 276.10 g/mol. IUPAC: S-(1-ethenylpyrazolo[3,4-b]pyrazin-5-yl) hexanethioate.
Chemical Property Profile of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
Property Insights of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
The XLogP value of 3.1258 indicates that Hexanethioic 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 Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester. Following Lipinski's Rule of Five, Hexanethioic 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The CAS number of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is 133280-16-7.
What is the molecular formula of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The molecular formula of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is C13H16N4OS.
What is the molecular weight of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
The molecular weight of Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester is 276.10 g/mol.
Where can I buy Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
You can request a quote for Hexanethioic 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 Hexanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanethioic 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.