![1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone structure](/static/products/862/862191-67-1.png)
1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone
TL;DR: 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone (CAS 862191-67-1) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone
Also Known As: 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone, 1-(3,4-dihydroxyphenyl)-2-((2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)ethanone, 1-(3,4-dihydroxyphenyl)-2-({2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl}sulfanyl)ethan-1-one, 1-(3,4-Dihydroxy-phenyl)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-ylsulfanyl)-ethanone, 1-(3,4-Dihydroxyphenyl)-2-([2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl)ethan-1-one
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.39934 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 1219.185 |
Chemical Identifiers
| CAS Number | 862191-67-1 |
|---|---|
| SMILES | CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=CC(=C(C=C3)O)O)C)C4=CC=CC=C4 |
Product Overview
1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone (CAS 862191-67-1), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone.
Chemical Property Profile of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone
Property Insights of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone
The XLogP value of 4.39934 indicates that 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone?
The CAS number of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone is 862191-67-1.
What is the molecular formula of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone?
The molecular formula of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone is C22H19N3O3S.
What is the molecular weight of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone?
The molecular weight of 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone is 405.11 g/mol.
Where can I buy 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone?
You can request a quote for 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroxyphenyl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.