1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
TL;DR: 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate (CAS 736136-04-2) 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 2-O-methyl piperazine-1,2-dicarboxylate
Also Known As: 1-tert-butyl 2-methyl piperazine-1,2-dicarboxylate, Methyl 1-Boc-piperazine-2-carboxylate, 1-n-boc-piperazine-2-carboxylic acid methyl ester, 1-N-Boc-2-piperazinecarboxylic acid methyl ester, n-boc-piperazine-2-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 | 736136-04-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCNCC1C(=O)OC |
Product Overview
1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate (CAS 736136-04-2), with molecular formula C11H20N2O4 and molecular weight 244.14 g/mol. IUPAC: 1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate.
Chemical Property Profile of 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
Property Insights of 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
The XLogP value of 0.3683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate 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-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate?
The CAS number of 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate is 736136-04-2.
What is the molecular formula of 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate?
The molecular formula of 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate is C11H20N2O4.
What is the molecular weight of 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate?
The molecular weight of 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate is 244.14 g/mol.
Where can I buy 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate?
You can request a quote for 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.