Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate
TL;DR: Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate (CAS 352664-86-9) is a chemical compound with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate
Also Known As: ZERO/004854, ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate, ethyl 2-(5-oxo-4-phenyl-tetrazol-1-yl)acetate, ethyl (5-oxo-4-phenyl-4,5-dihydro-1H-tetrazol-1-yl)acetate, ethyl (5-oxo-4-phenyl-4,5-dihydro-1{H}-tetrazol-1-yl)acetate
| Molecular Formula | C11H12N4O3 |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | -0.0079 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.09094 |
| Heavy Atoms | 18 |
| Complexity | 587.8358 |
Chemical Identifiers
| CAS Number | 352664-86-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)N(N=N1)C2=CC=CC=C2 |
Product Overview
Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate (CAS 352664-86-9), with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol. IUPAC: ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate
Property Insights of Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate
The XLogP value of -0.0079 indicates that Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate 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 Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate?
The CAS number of Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate is 352664-86-9.
What is the molecular formula of Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate?
The molecular formula of Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate is C11H12N4O3.
What is the molecular weight of Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate?
The molecular weight of Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate is 248.09 g/mol.
Where can I buy Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate?
You can request a quote for Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-oxo-4-phenyltetrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.