Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
TL;DR: Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- (CAS 87540-44-1) is a chemical compound with molecular formula C18H13N5O and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile
Also Known As: 4-(6-Ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzonitrile, BENZONITRILE, 4-(6-ETHOXY-1,2,4-TRIAZOLO(3,4-a)PHTHALAZIN-3-YL)-, 4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile, 4-(7-ethoxy[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile, RefChem:328070
| Molecular Formula | C18H13N5O |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.112 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 87540-44-1 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1C=NN3C2=NN=C3C4=CC=C(C=C4)C#N |
| InChIKey | SABHNJHETNRYFZ-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- (CAS 87540-44-1), with molecular formula C18H13N5O and molecular weight 315.11 g/mol. IUPAC: 4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
Property Insights of Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-. Following Lipinski's Rule of Five, Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- has 0 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 Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The CAS number of Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is 87540-44-1.
What is the molecular formula of Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The molecular formula of Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is C18H13N5O.
What is the molecular weight of Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
The molecular weight of Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- is 315.11 g/mol.
Where can I buy Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
You can request a quote for Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.