Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester
TL;DR: Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester (CAS 109648-85-3) is a chemical compound with molecular formula C19H39BrN2O2 and molecular weight 406.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-dodecyl-4-methylpiperazin-4-ium-1-carboxylate bromide
Also Known As: 4-Carboxy-1-dodecyl-1-methylpiperazinium bromide methyl ester, Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester, methyl 4-dodecyl-4-methylpiperazin-4-ium-1-carboxylate bromide, 1-DODECYL-4-(METHOXYCARBONYL)-1-METHYLPIPERAZIN-1-IUM BROMIDE, RefChem:1096088
| Molecular Formula | C19H39BrN2O2 |
|---|---|
| Molecular Weight | 406.22 g/mol |
| LogP | 1.4399 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 406.21948 |
| Heavy Atoms | 24 |
| Complexity | 318.48865 |
Chemical Identifiers
| CAS Number | 109648-85-3 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OC)C.[Br-] |
Product Overview
Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester (CAS 109648-85-3), with molecular formula C19H39BrN2O2 and molecular weight 406.22 g/mol. IUPAC: methyl 4-dodecyl-4-methylpiperazin-4-ium-1-carboxylate bromide.
Chemical Property Profile of Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester
Property Insights of Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester
The XLogP value of 1.4399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester has 0 hydrogen bond donor(s) and 2 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 Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester?
The CAS number of Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester is 109648-85-3.
What is the molecular formula of Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester?
The molecular formula of Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester is C19H39BrN2O2.
What is the molecular weight of Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester?
The molecular weight of Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester is 406.22 g/mol.
Where can I buy Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester?
You can request a quote for Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Piperazinium, 4-carboxy-1-dodecyl-1-methyl-, bromide, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.