1-Benzyl 3-methyl piperazine-1,3-dicarboxylate
TL;DR: 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate (CAS 405175-79-3) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate
Also Known As: 1-benzyl 3-methyl piperazine-1,3-dicarboxylate, methyl 4-cbz-piperazine-2-carboxylate, N-4-Cbz-piperazine-2-carboxylate methyl ester, 4-Cbz-piperazine-2-carboxylate methyl ester, Methyl (S)-4-N-Cbz-piperazine-2-carboxylate
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 463.50153 |
Chemical Identifiers
| CAS Number | 405175-79-3 |
|---|---|
| SMILES | COC(=O)C1CN(CCN1)C(=O)OCC2=CC=CC=C2 |
Product Overview
1-Benzyl 3-methyl piperazine-1,3-dicarboxylate (CAS 405175-79-3), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: 1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate.
Chemical Property Profile of 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate
Property Insights of 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate. Following Lipinski's Rule of Five, 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate has 1 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-Benzyl 3-methyl piperazine-1,3-dicarboxylate?
The CAS number of 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate is 405175-79-3.
What is the molecular formula of 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate?
The molecular formula of 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate is C14H18N2O4.
What is the molecular weight of 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate?
The molecular weight of 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate is 278.13 g/mol.
Where can I buy 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate?
You can request a quote for 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl 3-methyl piperazine-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.