4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate
TL;DR: 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate (CAS 849057-93-8) is a chemical compound with molecular formula C17H16N4O5 and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(tetrazol-1-yl)phenyl] 3,4,5-trimethoxybenzoate
Also Known As: 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate, [4-(tetrazol-1-yl)phenyl] 3,4,5-trimethoxybenzoate, 4-(1,2,3,4-tetraazolyl)phenyl 3,4,5-trimethoxybenzoate, 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C17H16N4O5 |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 1.9073 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.11206 |
| Heavy Atoms | 26 |
| Complexity | 869.0216 |
Chemical Identifiers
| CAS Number | 849057-93-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)N3C=NN=N3 |
Product Overview
4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate (CAS 849057-93-8), with molecular formula C17H16N4O5 and molecular weight 356.11 g/mol. IUPAC: [4-(tetrazol-1-yl)phenyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate
Property Insights of 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate
The XLogP value of 1.9073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 8 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 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate?
The CAS number of 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate is 849057-93-8.
What is the molecular formula of 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate is C17H16N4O5.
What is the molecular weight of 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate is 356.11 g/mol.
Where can I buy 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-tetrazol-1-yl)phenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.