1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
TL;DR: 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate (CAS 14396-72-6) is a chemical compound with molecular formula C11H20N2O4 and molecular weight 244.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate
Also Known As: 1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate, Methyl 4-Boc-piperazine-2-carboxylate, N-4-Boc-2-piperazinecarboxylic acid methyl ester, H-LEU-NH2, 1-N-BOC-PIPERAZINE-3-CARBOXYLIC ACID METHYL ESTER
| Molecular Formula | C11H20N2O4 |
|---|---|
| Molecular Weight | 244.14 g/mol |
| LogP | 0.3683 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.1423 |
| Heavy Atoms | 17 |
| Complexity | 298.3368 |
Chemical Identifiers
| CAS Number | 14396-72-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCNC(C1)C(=O)OC |
Product Overview
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate (CAS 14396-72-6), with molecular formula C11H20N2O4 and molecular weight 244.14 g/mol. IUPAC: 1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate.
Chemical Property Profile of 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
Property Insights of 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
The XLogP value of 0.3683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate. Following Lipinski's Rule of Five, 1-tert-Butyl 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-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate?
The CAS number of 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate is 14396-72-6.
What is the molecular formula of 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate?
The molecular formula of 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate is C11H20N2O4.
What is the molecular weight of 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate?
The molecular weight of 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate is 244.14 g/mol.
Where can I buy 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate?
You can request a quote for 1-tert-Butyl 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-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.