![Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate structure](/static/products/604/604754-59-8.png)
Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate
TL;DR: Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate (CAS 604754-59-8) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetate
Also Known As: Ethyl 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetate, Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate, Acetic acid, [[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]thio]-, ethyl ester (9CI)
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 3.08754 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 891.428 |
Chemical Identifiers
| CAS Number | 604754-59-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(C2=CC=CC=C21)N3C(=CC(=N3)C)C |
Product Overview
Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate (CAS 604754-59-8), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: ethyl 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetate.
Chemical Property Profile of Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate
Property Insights of Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate
The XLogP value of 3.08754 indicates that Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate. Following Lipinski's Rule of Five, Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate has 0 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 Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate?
The CAS number of Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate is 604754-59-8.
What is the molecular formula of Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate?
The molecular formula of Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate is C17H18N4O2S.
What is the molecular weight of Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate?
The molecular weight of Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate is 342.12 g/mol.
Where can I buy Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate?
You can request a quote for Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.