![Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate structure](/static/products/817/817568-65-3.png)
Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate (CAS 817568-65-3) is a chemical compound with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: AN-329/42724772, tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate, tert-butyl 4-[(biphenyl-4-ylcarbonyl)carbamothioyl]piperazine-1-carboxylate, tert-butyl 4-{[(4-biphenylylcarbonyl)amino]carbonothioyl}-1-piperazinecarboxylate, Tert-butyl 4-[(4-phenylbenzoyl)thiocarbamoyl]piperazine-1-carboxylate
| Molecular Formula | C23H27N3O3S |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 3.921 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.1773 |
| Heavy Atoms | 30 |
| Complexity | 899.5406 |
Chemical Identifiers
| CAS Number | 817568-65-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
Product Overview
Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate (CAS 817568-65-3), with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol. IUPAC: tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 3.921 indicates that Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 4 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 Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate is 817568-65-3.
What is the molecular formula of Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate is C23H27N3O3S.
What is the molecular weight of Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate is 425.18 g/mol.
Where can I buy Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.