![7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine structure](/static/products/849/849913-64-0.png)
7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
TL;DR: 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CAS 849913-64-0) is a chemical compound with molecular formula C21H17Cl2N3S and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylsulfanyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Also Known As: 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine, 7-((4-chlorobenzyl)thio)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine, 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylsulfanyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine, 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylthio]-2,5-dimethyl-8-hydropyrazolo [1,5-a]pyrimidine
| Molecular Formula | C21H17Cl2N3S |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 6.61224 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.05203 |
| Heavy Atoms | 27 |
| Complexity | 1103.1871 |
Chemical Identifiers
| CAS Number | 849913-64-0 |
|---|---|
| SMILES | CC1=NC2=C(C(=NN2C(=C1)SCC3=CC=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl |
Product Overview
7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CAS 849913-64-0), with molecular formula C21H17Cl2N3S and molecular weight 413.05 g/mol. IUPAC: 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylsulfanyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Property Insights of 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
The XLogP value of 6.61224 indicates that 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[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, 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[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 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The CAS number of 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is 849913-64-0.
What is the molecular formula of 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The molecular formula of 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is C21H17Cl2N3S.
What is the molecular weight of 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The molecular weight of 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is 413.05 g/mol.
Where can I buy 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
You can request a quote for 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[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 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.