![4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/871/871547-72-7.png)
4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 871547-72-7) is a chemical compound with molecular formula C12H5Cl2F3N4 and molecular weight 331.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
Also Known As: AB00742978-01, 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C12H5Cl2F3N4 |
|---|---|
| Molecular Weight | 331.98 g/mol |
| LogP | 4.1411 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.98434 |
| Heavy Atoms | 21 |
| Complexity | 828.9709 |
Chemical Identifiers
| CAS Number | 871547-72-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=NC(=N3)C(F)(F)F)Cl |
Product Overview
4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 871547-72-7), with molecular formula C12H5Cl2F3N4 and molecular weight 331.98 g/mol. IUPAC: 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.1411 indicates that 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-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, 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 3 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 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine is 871547-72-7.
What is the molecular formula of 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine is C12H5Cl2F3N4.
What is the molecular weight of 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine is 331.98 g/mol.
Where can I buy 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-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 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-(3-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.