![[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate structure](/static/products/3384/338419-16-2.webp)
[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate
TL;DR: [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate (CAS 338419-16-2) is a chemical compound with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)triazol-4-yl]methyl benzoate
Also Known As: [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate|[1-(4-chlorophenyl)triazol-4-yl]methyl benzoate|KS-00001WC3|[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzoate|[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methylbenzoate|1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-ylmethyl benzenecarboxylate|MFCD00140939|SMR000169325|MLS000543356|REGID_for_CID_1475808
| Molecular Formula | C16H12ClN3O2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 3.2777 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0618 |
| Heavy Atoms | 22 |
| Complexity | 769.59973 |
Chemical Identifiers
| CAS Number | 338419-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl |
Product Overview
[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate (CAS 338419-16-2), with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol. IUPAC: [1-(4-chlorophenyl)triazol-4-yl]methyl benzoate.
Chemical Property Profile of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate
Property Insights of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate
The XLogP value of 3.2777 indicates that [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate 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-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate 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-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate?
The CAS number of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate is 338419-16-2.
What is the molecular formula of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate?
The molecular formula of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate is C16H12ClN3O2.
What is the molecular weight of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate?
The molecular weight of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate is 313.06 g/mol.
Where can I buy [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate?
You can request a quote for [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.