![4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone structure](/static/products/6918/691868-58-3.webp)
4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone
TL;DR: 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone (CAS 691868-58-3) is a chemical compound with molecular formula C20H15ClN4O4S and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-2-methylpyrazolo[1,5-a]pyrimidine
Also Known As: 4-CHLOROPHENYL 5-(2-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-2-NITROBENZYL SULFONE, 7-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-2-methylpyrazolo[1,5-a]pyrimidine, 11R-0036, 7-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}-2-methylpyrazolo[1,5-a]pyrimidine, 7-(3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
| Molecular Formula | C20H15ClN4O4S |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 4.24022 |
| Topological Polar Surface Area | 107.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.05026 |
| Heavy Atoms | 30 |
| Complexity | 1381.9612 |
Chemical Identifiers
| CAS Number | 691868-58-3 |
|---|---|
| SMILES | CC1=NN2C(=CC=NC2=C1)C3=CC(=C(C=C3)[N+](=O)[O-])CS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone (CAS 691868-58-3), with molecular formula C20H15ClN4O4S and molecular weight 442.05 g/mol. IUPAC: 7-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-2-methylpyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone
Property Insights of 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone
The XLogP value of 4.24022 indicates that 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone. Following Lipinski's Rule of Five, 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone 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 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone?
The CAS number of 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone is 691868-58-3.
What is the molecular formula of 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone?
The molecular formula of 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone is C20H15ClN4O4S.
What is the molecular weight of 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone?
The molecular weight of 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone is 442.05 g/mol.
Where can I buy 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone?
You can request a quote for 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 5-(2-methylpyrazolo[1,5-A]pyrimidin-7-YL)-2-nitrobenzyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.