1H-Benzotriazol-1-yl-3-pyridinylmethanone
TL;DR: 1H-Benzotriazol-1-yl-3-pyridinylmethanone (CAS 144223-30-3) is a chemical compound with molecular formula C12H8N4O and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl(pyridin-3-yl)methanone
Also Known As: benzotriazolyl 3-pyridyl ketone, 1H-Benzotriazol-1-yl-3-pyridinylmethanone, 1-(3-Pyridylcarbonyl)-1H-benzotriazole, benzotriazol-1-yl(pyridin-3-yl)methanone, Benzotriazol-1-yl-pyridin-3-yl-methanone
| Molecular Formula | C12H8N4O |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.5148 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.06981 |
| Heavy Atoms | 17 |
| Complexity | 675.0482 |
Chemical Identifiers
| CAS Number | 144223-30-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CN=CC=C3 |
Product Overview
1H-Benzotriazol-1-yl-3-pyridinylmethanone (CAS 144223-30-3), with molecular formula C12H8N4O and molecular weight 224.07 g/mol. IUPAC: benzotriazol-1-yl(pyridin-3-yl)methanone.
Chemical Property Profile of 1H-Benzotriazol-1-yl-3-pyridinylmethanone
Property Insights of 1H-Benzotriazol-1-yl-3-pyridinylmethanone
The XLogP value of 1.5148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazol-1-yl-3-pyridinylmethanone. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazol-1-yl-3-pyridinylmethanone. Following Lipinski's Rule of Five, 1H-Benzotriazol-1-yl-3-pyridinylmethanone has 0 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 1H-Benzotriazol-1-yl-3-pyridinylmethanone?
The CAS number of 1H-Benzotriazol-1-yl-3-pyridinylmethanone is 144223-30-3.
What is the molecular formula of 1H-Benzotriazol-1-yl-3-pyridinylmethanone?
The molecular formula of 1H-Benzotriazol-1-yl-3-pyridinylmethanone is C12H8N4O.
What is the molecular weight of 1H-Benzotriazol-1-yl-3-pyridinylmethanone?
The molecular weight of 1H-Benzotriazol-1-yl-3-pyridinylmethanone is 224.07 g/mol.
Where can I buy 1H-Benzotriazol-1-yl-3-pyridinylmethanone?
You can request a quote for 1H-Benzotriazol-1-yl-3-pyridinylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazol-1-yl-3-pyridinylmethanone?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazol-1-yl-3-pyridinylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.