![2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile structure](/static/products/3039/303995-59-7.webp)
2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile
TL;DR: 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile (CAS 303995-59-7) is a chemical compound with molecular formula C16H12N4O and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3H-phthalazin-1-yl)methylamino]benzonitrile
Also Known As: 2-{[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]amino}benzonitrile, 2-[(4-oxo-3H-phthalazin-1-yl)methylamino]benzonitrile, 2-{[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile, 12B-091, 2-(((4-oxo-3,4-dihydro-1-phthalazinyl)methyl)amino)benzenecarbonitrile
| Molecular Formula | C16H12N4O |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.40688 |
| Topological Polar Surface Area | 81.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1011 |
| Heavy Atoms | 21 |
| Complexity | 892.40784 |
Chemical Identifiers
| CAS Number | 303995-59-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NCC2=NNC(=O)C3=CC=CC=C32 |
Product Overview
2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile (CAS 303995-59-7), with molecular formula C16H12N4O and molecular weight 276.10 g/mol. IUPAC: 2-[(4-oxo-3H-phthalazin-1-yl)methylamino]benzonitrile.
Chemical Property Profile of 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile
Property Insights of 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile
The XLogP value of 2.40688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile. The TPSA of 81.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile. Following Lipinski's Rule of Five, 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile has 2 hydrogen bond donor(s) and 4 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-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile?
The CAS number of 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile is 303995-59-7.
What is the molecular formula of 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile?
The molecular formula of 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile is C16H12N4O.
What is the molecular weight of 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile?
The molecular weight of 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile is 276.10 g/mol.
Where can I buy 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile?
You can request a quote for 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]amino}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.