![3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione structure](/static/products/849/849912-52-3.png)
3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione
TL;DR: 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione (CAS 849912-52-3) is a chemical compound with molecular formula C22H24ClN3O2S and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione
Also Known As: 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione, 3-((5-(tert-butyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio)pentane-2,4-dione, 3-[5-(tert-butyl)-3-(4-chlorophenyl)-2-methyl-8-hydropyrazolo[1,5-a]pyrimidin- 7-ylthio]pentane-2,4-dione, 3-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione
| Molecular Formula | C22H24ClN3O2S |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 5.29432 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.12778 |
| Heavy Atoms | 29 |
| Complexity | 1083.9282 |
Chemical Identifiers
| CAS Number | 849912-52-3 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)SC(C(=O)C)C(=O)C |
Product Overview
3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione (CAS 849912-52-3), with molecular formula C22H24ClN3O2S and molecular weight 429.13 g/mol. IUPAC: 3-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylpentane-2,4-dione.
Chemical Property Profile of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione
Property Insights of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione
The XLogP value of 5.29432 indicates that 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione. Following Lipinski's Rule of Five, 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione?
The CAS number of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione is 849912-52-3.
What is the molecular formula of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione?
The molecular formula of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione is C22H24ClN3O2S.
What is the molecular weight of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione?
The molecular weight of 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione is 429.13 g/mol.
Where can I buy 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione?
You can request a quote for 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.