![1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/578/578744-37-3.png)
1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine (CAS 578744-37-3) is a chemical compound with molecular formula C21H18N4S and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[(E)-3-phenylprop-2-enyl]sulfanylpyrazolo[5,4-d]pyrimidine
Also Known As: 1-benzyl-4-(cinnamylthio)-1H-pyrazolo[3,4-d]pyrimidine, 1-benzyl-4-[(E)-3-phenylprop-2-enyl]sulfanylpyrazolo[3,4-d]pyrimidine, 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C21H18N4S |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 4.6801 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1252 |
| Heavy Atoms | 26 |
| Complexity | 1010.0676 |
Chemical Identifiers
| CAS Number | 578744-37-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SC/C=C/C4=CC=CC=C4 |
Product Overview
1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine (CAS 578744-37-3), with molecular formula C21H18N4S and molecular weight 358.13 g/mol. IUPAC: 1-benzyl-4-[(E)-3-phenylprop-2-enyl]sulfanylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.6801 indicates that 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 4 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 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is 578744-37-3.
What is the molecular formula of 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is C21H18N4S.
What is the molecular weight of 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is 358.13 g/mol.
Where can I buy 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.