![Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate structure](/static/products/577/577961-75-2.png)
Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate
TL;DR: Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate (CAS 577961-75-2) is a chemical compound with molecular formula C14H11ClN4O2S and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
Also Known As: F1874-0710, methyl 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetate, methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate, methyl 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetate
| Molecular Formula | C14H11ClN4O2S |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 2.734 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0291 |
| Heavy Atoms | 22 |
| Complexity | 819.3258 |
Chemical Identifiers
| CAS Number | 577961-75-2 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl |
Product Overview
Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate (CAS 577961-75-2), with molecular formula C14H11ClN4O2S and molecular weight 334.03 g/mol. IUPAC: methyl 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate
Property Insights of Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate
The XLogP value of 2.734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate. Following Lipinski's Rule of Five, Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate has 0 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 Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate?
The CAS number of Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate is 577961-75-2.
What is the molecular formula of Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate?
The molecular formula of Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate is C14H11ClN4O2S.
What is the molecular weight of Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate?
The molecular weight of Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate is 334.03 g/mol.
Where can I buy Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate?
You can request a quote for Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.