Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester (CAS 66760-21-2) is a chemical compound with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
Also Known As: 2-(1H-1,2,4-Triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester, Trimethoxy-3,4,5 benzoate d'(hydroxy-2 ethyl)-1 triazole-1,2,4, 2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate, 2-(1H-1,2,4-Triazol-1-yl)ethyl3,4,5-trimethoxybenzoate
| Molecular Formula | C14H17N3O5 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 1.1609 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.11682 |
| Heavy Atoms | 22 |
| Complexity | 602.40857 |
Chemical Identifiers
| CAS Number | 66760-21-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C=NC=N2 |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester (CAS 66760-21-2), with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester
The XLogP value of 1.1609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester has 0 hydrogen bond donor(s) and 7 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 Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester is 66760-21-2.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester is C14H17N3O5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester is 307.12 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.