![3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione structure](/static/products/877/877802-51-2.png)
3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione
TL;DR: 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione (CAS 877802-51-2) is a chemical compound with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione
Also Known As: 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione, 3-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)pentane-2,4-dione, 3-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione, 3-[2,5-dimethyl-3-phenyl-6-benzyl-8-hydropyrazolo[1,5-a]pyrimidin-7-ylthio]pen tane-2,4-dione
| Molecular Formula | C26H25N3O2S |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 5.24264 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.16675 |
| Heavy Atoms | 32 |
| Complexity | 1283.4087 |
Chemical Identifiers
| CAS Number | 877802-51-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)SC(C(=O)C)C(=O)C)C)C4=CC=CC=C4 |
Product Overview
3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione (CAS 877802-51-2), with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol. IUPAC: 3-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylpentane-2,4-dione.
Chemical Property Profile of 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione
Property Insights of 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione
The XLogP value of 5.24264 indicates that 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[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-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione. Following Lipinski's Rule of Five, 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[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-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione?
The CAS number of 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione is 877802-51-2.
What is the molecular formula of 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione?
The molecular formula of 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione is C26H25N3O2S.
What is the molecular weight of 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione?
The molecular weight of 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione is 443.17 g/mol.
Where can I buy 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione?
You can request a quote for 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[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-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[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.