![5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine structure](/static/products/850/850187-68-7.png)
5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
TL;DR: 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CAS 850187-68-7) is a chemical compound with molecular formula C24H23Cl2N3S and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-3-(4-chlorophenyl)-7-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrazolo[1,5-a]pyrimidine
Also Known As: 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine, 5-(tert-butyl)-3-(4-chlorophenyl)-7-[(2-chlorophenyl)methylthio]-2-methyl-8-hy dropyrazolo[1,5-a]pyrimidine, 5-(tert-butyl)-7-((2-chlorobenzyl)thio)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine, 5-tert-butyl-3-(4-chlorophenyl)-7-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrazolo[1,5-a]pyrimidine
| Molecular Formula | C24H23Cl2N3S |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 7.60132 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.09897 |
| Heavy Atoms | 30 |
| Complexity | 1207.8239 |
Chemical Identifiers
| CAS Number | 850187-68-7 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC4=CC=CC=C4Cl |
Product Overview
5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CAS 850187-68-7), with molecular formula C24H23Cl2N3S and molecular weight 455.10 g/mol. IUPAC: 5-tert-butyl-3-(4-chlorophenyl)-7-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
Property Insights of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
The XLogP value of 7.60132 indicates that 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.19 Ų, 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The CAS number of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is 850187-68-7.
What is the molecular formula of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The molecular formula of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is C24H23Cl2N3S.
What is the molecular weight of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The molecular weight of 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is 455.10 g/mol.
Where can I buy 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
You can request a quote for 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-butyl-7-[(2-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.