![ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate structure](/static/products/862/862485-69-6.png)
ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate (CAS 862485-69-6) is a chemical compound with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate
Also Known As: ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate, ethyl 4-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate, ethyl 4-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-3-oxobutanoate
| Molecular Formula | C27H27N3O3S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 5.21834 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.1773 |
| Heavy Atoms | 34 |
| Complexity | 1317.7153 |
Chemical Identifiers
| CAS Number | 862485-69-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4 |
Product Overview
ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate (CAS 862485-69-6), with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol. IUPAC: ethyl 4-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate
The XLogP value of 5.21834 indicates that ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate is 862485-69-6.
What is the molecular formula of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate is C27H27N3O3S.
What is the molecular weight of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate is 473.18 g/mol.
Where can I buy ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.