![Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate structure](/static/products/5000/500013-39-8.webp)
Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate
TL;DR: Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate (CAS 500013-39-8) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxylate
Also Known As: TERT-BUTYL 4-[3-(HYDROXYMETHYL)BENZYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE, 4-[3-(Hydroxymethyl)benzyl]piperazine, Tert-butyl 4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxylate, tert-Butyl 4-[3-(hydroxymethyl)benzyl]piperazine-1-carboxylate, 1-Boc-4-[3-(hydroxymethyl)benzyl]-piperazine
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 2.2316 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 502.87067 |
Chemical Identifiers
| CAS Number | 500013-39-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)CO |
Product Overview
Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate (CAS 500013-39-8), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: tert-butyl 4-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate
Property Insights of Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate
The XLogP value of 2.2316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate. With a topological polar surface area (TPSA) of 53.01 Ų, Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate 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-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate?
The CAS number of Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate is 500013-39-8.
What is the molecular formula of Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate?
The molecular formula of Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate is C17H26N2O3.
What is the molecular weight of Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate?
The molecular weight of Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate is 306.19 g/mol.
Where can I buy Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate?
You can request a quote for Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate 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-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.