![3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one structure](/static/products/895/895358-82-4.png)
3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one
TL;DR: 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one (CAS 895358-82-4) is a chemical compound with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-one
Also Known As: 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one, 3-acetyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-one, 3-acetyl-2-(pyridin-4-yl)-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one
| Molecular Formula | C15H12N4O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 1.6668 |
| Topological Polar Surface Area | 74.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.09604 |
| Heavy Atoms | 21 |
| Complexity | 740.34863 |
Chemical Identifiers
| CAS Number | 895358-82-4 |
|---|---|
| SMILES | CC(=O)N1C(=NC2=CC=CC=C2C(=O)N1)C3=CC=NC=C3 |
Product Overview
3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one (CAS 895358-82-4), with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol. IUPAC: 3-acetyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepin-5-one.
Chemical Property Profile of 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one
Property Insights of 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one
The XLogP value of 1.6668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one. The TPSA of 74.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one. Following Lipinski's Rule of Five, 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one 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-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one?
The CAS number of 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one is 895358-82-4.
What is the molecular formula of 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one?
The molecular formula of 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one is C15H12N4O2.
What is the molecular weight of 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one?
The molecular weight of 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one is 280.10 g/mol.
Where can I buy 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one?
You can request a quote for 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2-(pyridin-4-yl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.