Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one
TL;DR: Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one (CAS 70154-23-3) is a chemical compound with molecular formula C13H7N3O and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one
Also Known As: Mannosyl(9)-N-acetylglucosamine, Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one, Acenaphtho[1,2-e][1,2,4]triazin-9(8H)-one
| Molecular Formula | C13H7N3O |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.05891 |
| Heavy Atoms | 17 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 70154-23-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4=NC(=O)NN=C4C3=CC=C2 |
| InChIKey | NBTUUTXMLGFURK-UHFFFAOYSA-N |
Product Overview
Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one (CAS 70154-23-3), with molecular formula C13H7N3O and molecular weight 221.06 g/mol. IUPAC: 11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one.
Chemical Property Profile of Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one
Property Insights of Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one. With a topological polar surface area (TPSA) of 53.8 Ų, Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one has 1 hydrogen bond donor(s) and 2 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 Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one?
The CAS number of Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one is 70154-23-3.
What is the molecular formula of Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one?
The molecular formula of Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one is C13H7N3O.
What is the molecular weight of Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one?
The molecular weight of Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one is 221.06 g/mol.
Where can I buy Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one?
You can request a quote for Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.