1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
TL;DR: 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine (CAS 727690-06-4) is a chemical compound with molecular formula C26H34N6O and molecular weight 446.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butylphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
Also Known As: F3394-1282, 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine, (3,5-ditert-butylphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone, (3,5-di-tert-butylphenyl)(4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl)methanone, (3,5-di-tert-butylphenyl)[4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinyl]methanone
| Molecular Formula | C26H34N6O |
|---|---|
| Molecular Weight | 446.28 g/mol |
| LogP | 4.2197 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.27942 |
| Heavy Atoms | 33 |
| Complexity | 1083.4242 |
Chemical Identifiers
| CAS Number | 727690-06-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)C(C)(C)C |
Product Overview
1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine (CAS 727690-06-4), with molecular formula C26H34N6O and molecular weight 446.28 g/mol. IUPAC: (3,5-ditert-butylphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
Chemical Property Profile of 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
Property Insights of 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
The XLogP value of 4.2197 indicates that 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine. Following Lipinski's Rule of Five, 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine 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 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine?
The CAS number of 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine is 727690-06-4.
What is the molecular formula of 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine?
The molecular formula of 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine is C26H34N6O.
What is the molecular weight of 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine?
The molecular weight of 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine is 446.28 g/mol.
Where can I buy 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine?
You can request a quote for 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-di-tert-butylbenzoyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.