Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester
TL;DR: Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester (CAS 133280-20-3) is a chemical compound with molecular formula C13H9N5S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzylpyrazolo[3,4-b]pyrazin-5-yl) thiocyanate
Also Known As: 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl thiocyanate, (1-benzylpyrazolo[3,4-b]pyrazin-5-yl) thiocyanate, Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester, 1-Benzyl-1H-pyrazolo[3,4-b]pyrazin-5-yl thiocyanate, Dodecanethioic acid,S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester
| Molecular Formula | C13H9N5S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.44778 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.05786 |
| Heavy Atoms | 19 |
| Complexity | 744.56464 |
Chemical Identifiers
| CAS Number | 133280-20-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=NC=C(N=C3C=N2)SC#N |
Product Overview
Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester (CAS 133280-20-3), with molecular formula C13H9N5S and molecular weight 267.06 g/mol. IUPAC: (1-benzylpyrazolo[3,4-b]pyrazin-5-yl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester
Property Insights of Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester
The XLogP value of 2.44778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 1-(phenylmethyl)-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 Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester?
The CAS number of Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester is 133280-20-3.
What is the molecular formula of Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester?
The molecular formula of Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester is C13H9N5S.
What is the molecular weight of Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester?
The molecular weight of Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester is 267.06 g/mol.
Where can I buy Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester?
You can request a quote for Thiocyanic acid, 1-(phenylmethyl)-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 Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyrazin-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.