![1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/872/872623-32-0.png)
1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine (CAS 872623-32-0) is a chemical compound with molecular formula C18H12ClN5O3 and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[5,4-d]pyrimidine
Also Known As: 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, F1888-0148, 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[3,4-d]pyrimidine, 1-(p-chlorophenyl)-4-(4-nitro-3-tolyloxy)-1,2,5,7-tetraaza-1H-indene, 4-[1-(4-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yloxy]-2-methyl-1-nitrobenzene
| Molecular Formula | C18H12ClN5O3 |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 4.47782 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.06287 |
| Heavy Atoms | 27 |
| Complexity | 1157.596 |
Chemical Identifiers
| CAS Number | 872623-32-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine (CAS 872623-32-0), with molecular formula C18H12ClN5O3 and molecular weight 381.06 g/mol. IUPAC: 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.47782 indicates that 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine 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 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine is 872623-32-0.
What is the molecular formula of 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine is C18H12ClN5O3.
What is the molecular weight of 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine is 381.06 g/mol.
Where can I buy 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-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-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.