C20H22ClN3OS
TL;DR: C20H22ClN3OS (CAS 850765-14-9) is a chemical compound with molecular formula C20H22ClN3OS and molecular weight 387.11722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpropan-2-one
Also Known As: 1-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}propan-2-one, 1-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)propan-2-one, 1-[5-(tert-butyl)-3-(4-chlorophenyl)-2-methyl-8-hydropyrazolo[1,5-a]pyrimidin- 7-ylthio]acetone, 1-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpropan-2-one
Technical Specifications
| Molecular Formula | C20H22ClN3OS |
| Molecular Weight | 387.11722 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.11722 Da |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SCC(=O)C |
| InChIKey | XAHLVZDGMVEWKM-UHFFFAOYSA-N |
Chemical Property Profile of C20H22ClN3OS
Property Insights of C20H22ClN3OS
The XLogP value of 5.3 indicates that C20H22ClN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H22ClN3OS. Following Lipinski's Rule of Five, C20H22ClN3OS has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C20H22ClN3OS?
The CAS number of C20H22ClN3OS is 850765-14-9.
What is the molecular formula of C20H22ClN3OS?
The molecular formula of C20H22ClN3OS is C20H22ClN3OS.
What is the molecular weight of C20H22ClN3OS?
The molecular weight of C20H22ClN3OS is 387.11722 g/mol.
Where can I buy C20H22ClN3OS?
You can request a quote for C20H22ClN3OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H22ClN3OS?
Yes, CoreyChem provides custom synthesis services for C20H22ClN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.