3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine
TL;DR: 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine (CAS 90685-01-1) is a chemical compound with molecular formula C19H19N5 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperazin-1-yl-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
Also Known As: Pitrazepin, PITRAZEPINE, 3-(Piperazinyl)-1-9H-dibenz(c,f)triazolo(4,5-a)azepin, 9H-Dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine, 3-(1-piperazinyl)-, ((3S)-3-amino-3-carboxy-propyl)-dimethyl-sulfonium
| Molecular Formula | C19H19N5 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.16403 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 90685-01-1 |
|---|---|
| SMILES | C1CN(CCN1)C2=NN=C3N2C4=CC=CC=C4CC5=CC=CC=C53 |
| InChIKey | GXFWOMYQHNODFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine (CAS 90685-01-1), with molecular formula C19H19N5 and molecular weight 317.16 g/mol. IUPAC: 3-piperazin-1-yl-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene.
Chemical Property Profile of 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine
Property Insights of 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine. With a topological polar surface area (TPSA) of 46.0 Ų, 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine has 1 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 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine?
The CAS number of 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine is 90685-01-1.
What is the molecular formula of 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine?
The molecular formula of 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine is C19H19N5.
What is the molecular weight of 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine?
The molecular weight of 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine is 317.16 g/mol.
Where can I buy 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine?
You can request a quote for 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Piperazinyl)-9H-dibenzo(c,f)-1,2,4-triazolo(4,3-a)azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.