![[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate structure](/static/products/4000/400083-25-2.webp)
[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate
TL;DR: [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate (CAS 400083-25-2) is a chemical compound with molecular formula C17H13Cl2N3O2 and molecular weight 361.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3,4-dichlorophenyl)triazol-4-yl]methyl 4-methylbenzoate
Also Known As: 5F-308S, [1-(3,4-dichlorophenyl)triazol-4-yl]methyl 4-methylbenzoate, [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate, [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzoate
| Molecular Formula | C17H13Cl2N3O2 |
|---|---|
| Molecular Weight | 361.04 g/mol |
| LogP | 4.23952 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.03848 |
| Heavy Atoms | 24 |
| Complexity | 875.7971 |
Chemical Identifiers
| CAS Number | 400083-25-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC2=CN(N=N2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate (CAS 400083-25-2), with molecular formula C17H13Cl2N3O2 and molecular weight 361.04 g/mol. IUPAC: [1-(3,4-dichlorophenyl)triazol-4-yl]methyl 4-methylbenzoate.
Chemical Property Profile of [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate
Property Insights of [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate
The XLogP value of 4.23952 indicates that [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate 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 [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate?
The CAS number of [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate is 400083-25-2.
What is the molecular formula of [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate?
The molecular formula of [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate is C17H13Cl2N3O2.
What is the molecular weight of [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate?
The molecular weight of [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate is 361.04 g/mol.
Where can I buy [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate?
You can request a quote for [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for [1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.