1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate
TL;DR: 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate (CAS 129799-08-2) is a chemical compound with molecular formula C11H21N2O4+ and molecular weight 245.15 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 (3S)-piperazin-4-ium-1,3-dicarboxylate
Also Known As: 1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate, (S)-4-(tert-butoxycarbonyl)-2-(methoxycarbonyl)piperazin-1-ium, 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate
| Molecular Formula | C11H21N2O4+ |
|---|---|
| Molecular Weight | 245.15 g/mol |
| LogP | -0.6579 |
| Topological Polar Surface Area | 72.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.15013 |
| Heavy Atoms | 17 |
| Complexity | 298.3368 |
Chemical Identifiers
| CAS Number | 129799-08-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC[NH2+][C@@H](C1)C(=O)OC |
Product Overview
1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate (CAS 129799-08-2), with molecular formula C11H21N2O4+ and molecular weight 245.15 g/mol. IUPAC: 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate.
Chemical Property Profile of 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate
Property Insights of 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate
The XLogP value of -0.6579 indicates that 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate. Following Lipinski's Rule of Five, 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate 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 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate?
The CAS number of 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate is 129799-08-2.
What is the molecular formula of 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate?
The molecular formula of 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate is C11H21N2O4+.
What is the molecular weight of 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate?
The molecular weight of 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate is 245.15 g/mol.
Where can I buy 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate?
You can request a quote for 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-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-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-tert-butyl 3-O-methyl (3S)-piperazin-4-ium-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.