ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate
TL;DR: ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate (CAS 727690-13-3) is a chemical compound with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate
Also Known As: AI-204/31687027, ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate, ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate, ethyl 4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinecarboxylate, ethyl 4-(1-phenyl-1H-tetrazol-5-yl)piperazine-1-carboxylate
| Molecular Formula | C14H18N6O2 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 0.9408 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1491 |
| Heavy Atoms | 22 |
| Complexity | 621.27313 |
Chemical Identifiers
| CAS Number | 727690-13-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3 |
Product Overview
ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate (CAS 727690-13-3), with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol. IUPAC: ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate
Property Insights of ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate
The XLogP value of 0.9408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate has 0 hydrogen bond donor(s) and 6 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 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate?
The CAS number of ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate is 727690-13-3.
What is the molecular formula of ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate?
The molecular formula of ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate is C14H18N6O2.
What is the molecular weight of ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate?
The molecular weight of ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate is 302.15 g/mol.
Where can I buy ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate?
You can request a quote for ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.