![2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one structure](/static/products/2329/2329208-91-3.webp)
2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one
TL;DR: 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one (CAS 2329208-91-3) is a chemical compound with molecular formula C17H12N4O2S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one
Also Known As: 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one, 2-Benzyl-4-(5-mercapto-1,3,4-oxadiazol-2-yl)phthalazin-1(2H)-one, 2-benzyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one, trans-methyl 1-benzyl-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate, 4-(4,5-Dihydro-5-thioxo-1,3,4-oxadiazol-2-yl)-2-(phenylmethyl)-1(2H)-phthalazinone
| Molecular Formula | C17H12N4O2S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 3.15739 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.06808 |
| Heavy Atoms | 24 |
| Complexity | 1128.502 |
Chemical Identifiers
| CAS Number | 2329208-91-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NNC(=S)O4 |
Product Overview
2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one (CAS 2329208-91-3), with molecular formula C17H12N4O2S and molecular weight 336.07 g/mol. IUPAC: 2-benzyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phthalazin-1-one.
Chemical Property Profile of 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one
Property Insights of 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one
The XLogP value of 3.15739 indicates that 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one. Following Lipinski's Rule of Five, 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one 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-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one?
The CAS number of 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one is 2329208-91-3.
What is the molecular formula of 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one?
The molecular formula of 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one is C17H12N4O2S.
What is the molecular weight of 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one?
The molecular weight of 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one is 336.07 g/mol.
Where can I buy 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one?
You can request a quote for 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-(5-mercapto-[1,3,4]oxadiazol-2-yl)-2H-phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.