2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide
TL;DR: 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide (CAS 606122-22-9) is a chemical compound with molecular formula C21H19N5OS and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
Also Known As: ASN 06976741, BRD-K55110542-001-01-9, 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide, 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-phenylacetamide, 2-[4-(3,5-Dimethyl-pyrazol-1-yl)-phthalazin-1-ylsulfanyl]-N-phenyl-acetamide
| Molecular Formula | C21H19N5OS |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.16314 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.13104 |
| Heavy Atoms | 28 |
| Complexity | 1140.2172 |
Chemical Identifiers
| CAS Number | 606122-22-9 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4)C |
Product Overview
2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide (CAS 606122-22-9), with molecular formula C21H19N5OS and molecular weight 389.13 g/mol. IUPAC: 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide
Property Insights of 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide
The XLogP value of 4.16314 indicates that 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide. Following Lipinski's Rule of Five, 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide has 1 hydrogen bond donor(s) and 5 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 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide?
The CAS number of 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide is 606122-22-9.
What is the molecular formula of 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide?
The molecular formula of 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide is C21H19N5OS.
What is the molecular weight of 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide?
The molecular weight of 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide is 389.13 g/mol.
Where can I buy 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide?
You can request a quote for 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.