1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole
TL;DR: 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole (CAS 313549-89-2) is a chemical compound with molecular formula C14H11N3O and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(3-methylphenyl)methanone
Also Known As: benzotriazolyl 3-methylphenyl ketone, Benzotriazol-1-yl-m-tolyl-methanone, 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole, BAS 00268951, benzotriazol-1-yl-(3-methylphenyl)methanone
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.42822 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 730.4921 |
Chemical Identifiers
| CAS Number | 313549-89-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole (CAS 313549-89-2), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: benzotriazol-1-yl-(3-methylphenyl)methanone.
Chemical Property Profile of 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole
Property Insights of 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole
The XLogP value of 2.42822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole has 0 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-(3-methylbenzoyl)-1H-1,2,3-benzotriazole?
The CAS number of 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole is 313549-89-2.
What is the molecular formula of 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole?
The molecular formula of 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole is C14H11N3O.
What is the molecular weight of 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole?
The molecular weight of 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole is 237.09 g/mol.
Where can I buy 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole?
You can request a quote for 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.