Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate
TL;DR: Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate (CAS 850375-08-5) is a chemical compound with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[(3-formylphenyl)methyl]piperazine-1-carboxylate
Also Known As: tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate, Cyclopentanecarboxylic acid, Tert-butyl 4-[(3-formylphenyl)methyl]piperazine-1-carboxylate, 4-(3-Formylbenzyl)piperazine, N-Methyl-4-(thien-2-yl)benzylamine
| Molecular Formula | C17H24N2O3 |
|---|---|
| Molecular Weight | 304.18 g/mol |
| LogP | 2.5518 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.17868 |
| Heavy Atoms | 22 |
| Complexity | 528.95074 |
Chemical Identifiers
| CAS Number | 850375-08-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)C=O |
Product Overview
Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate (CAS 850375-08-5), with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol. IUPAC: tert-butyl 4-[(3-formylphenyl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate
Property Insights of Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate
The XLogP value of 2.5518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 49.85 Ų, Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate has 0 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-(3-formylbenzyl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate is 850375-08-5.
What is the molecular formula of Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate is C17H24N2O3.
What is the molecular weight of Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate is 304.18 g/mol.
Where can I buy Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-(3-formylbenzyl)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-(3-formylbenzyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(3-formylbenzyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.