![1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole structure](/static/products/3058/305860-96-2.webp)
1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole
TL;DR: 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole (CAS 305860-96-2) is a chemical compound with molecular formula C16H13N5O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
Also Known As: 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole, 1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzotriazole, 2-(benzotriazol-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
| Molecular Formula | C16H13N5O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 2.83802 |
| Topological Polar Surface Area | 69.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.112 |
| Heavy Atoms | 22 |
| Complexity | 923.0319 |
Chemical Identifiers
| CAS Number | 305860-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)CN3C4=CC=CC=C4N=N3 |
Product Overview
1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole (CAS 305860-96-2), with molecular formula C16H13N5O and molecular weight 291.11 g/mol. IUPAC: 2-(benzotriazol-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole
Property Insights of 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole
The XLogP value of 2.83802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole. The TPSA of 69.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 5 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-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole?
The CAS number of 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole is 305860-96-2.
What is the molecular formula of 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole?
The molecular formula of 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole is C16H13N5O.
What is the molecular weight of 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole?
The molecular weight of 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole is 291.11 g/mol.
Where can I buy 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole?
You can request a quote for 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-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-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.