3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile
TL;DR: 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile (CAS 76972-37-7) is a chemical compound with molecular formula C17H13N3O and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-oxo-4-phenylphthalazin-2-yl)propanenitrile
Also Known As: 3-(1-OXO-4-PHENYLPHTHALAZIN-2(1H)-YL)PROPANENITRILE, 3-(1-oxo-4-phenylphthalazin-2-yl)propanenitrile, BAS 05880891, 3-(1-Oxo-4-Phenylphthalazin-2 propaneitrile, 3-(1-Oxo-4-phenyl-1H-phthalazin-2-yl)-propionitrile
| Molecular Formula | C17H13N3O |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 2.97718 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.10587 |
| Heavy Atoms | 21 |
| Complexity | 875.9161 |
Chemical Identifiers
| CAS Number | 76972-37-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC#N |
Product Overview
3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile (CAS 76972-37-7), with molecular formula C17H13N3O and molecular weight 275.11 g/mol. IUPAC: 3-(1-oxo-4-phenylphthalazin-2-yl)propanenitrile.
Chemical Property Profile of 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile
Property Insights of 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile
The XLogP value of 2.97718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile has 0 hydrogen bond donor(s) and 3 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 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile?
The CAS number of 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile is 76972-37-7.
What is the molecular formula of 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile?
The molecular formula of 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile is C17H13N3O.
What is the molecular weight of 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile?
The molecular weight of 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile is 275.11 g/mol.
Where can I buy 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile?
You can request a quote for 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Oxo-4-phenylphthalazin-2(1H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.