![6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one structure](/static/products/869/869075-16-1.png)
6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
TL;DR: 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 869075-16-1) is a chemical compound with molecular formula C19H13ClN4O3S and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 6-[(6-chloro(2H-benzo[d]1,3-dioxolen-5-yl))methylthio]-5-phenyl-5-hydropyrazol o[5,4-d]pyrimidin-4-one, 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C19H13ClN4O3S |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 3.7832 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0397 |
| Heavy Atoms | 28 |
| Complexity | 1239.3916 |
Chemical Identifiers
| CAS Number | 869075-16-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5)Cl |
Product Overview
6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 869075-16-1), with molecular formula C19H13ClN4O3S and molecular weight 412.04 g/mol. IUPAC: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Property Insights of 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
The XLogP value of 3.7832 indicates that 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 6 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 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The CAS number of 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is 869075-16-1.
What is the molecular formula of 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The molecular formula of 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is C19H13ClN4O3S.
What is the molecular weight of 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The molecular weight of 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is 412.04 g/mol.
Where can I buy 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
You can request a quote for 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.