1-(2-Pyrrolecarbonyl)benzotriazole
TL;DR: 1-(2-Pyrrolecarbonyl)benzotriazole (CAS 144223-32-5) is a chemical compound with molecular formula C11H8N4O and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl(1H-pyrrol-2-yl)methanone
Also Known As: 1-(2-Pyrrolecarbonyl)benzotriazole, benzotriazol-1-yl(1H-pyrrol-2-yl)methanone, 1-(1H-pyrrole-2-carbonyl)-1H-1,2,3-benzotriazole, Benzotriazol-1-yl-(1H-pyrrol-2-yl)methanone, Methanone, 1H-benzotriazol-1-yl-1H-pyrrol-2-yl-
| Molecular Formula | C11H8N4O |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.4479 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.06981 |
| Heavy Atoms | 16 |
| Complexity | 638.8655 |
Chemical Identifiers
| CAS Number | 144223-32-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=CN3 |
Product Overview
1-(2-Pyrrolecarbonyl)benzotriazole (CAS 144223-32-5), with molecular formula C11H8N4O and molecular weight 212.07 g/mol. IUPAC: benzotriazol-1-yl(1H-pyrrol-2-yl)methanone.
Chemical Property Profile of 1-(2-Pyrrolecarbonyl)benzotriazole
Property Insights of 1-(2-Pyrrolecarbonyl)benzotriazole
The XLogP value of 1.4479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Pyrrolecarbonyl)benzotriazole. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Pyrrolecarbonyl)benzotriazole. Following Lipinski's Rule of Five, 1-(2-Pyrrolecarbonyl)benzotriazole has 1 hydrogen bond donor(s) and 3 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 1-(2-Pyrrolecarbonyl)benzotriazole?
The CAS number of 1-(2-Pyrrolecarbonyl)benzotriazole is 144223-32-5.
What is the molecular formula of 1-(2-Pyrrolecarbonyl)benzotriazole?
The molecular formula of 1-(2-Pyrrolecarbonyl)benzotriazole is C11H8N4O.
What is the molecular weight of 1-(2-Pyrrolecarbonyl)benzotriazole?
The molecular weight of 1-(2-Pyrrolecarbonyl)benzotriazole is 212.07 g/mol.
Where can I buy 1-(2-Pyrrolecarbonyl)benzotriazole?
You can request a quote for 1-(2-Pyrrolecarbonyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Pyrrolecarbonyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Pyrrolecarbonyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.