1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium
TL;DR: 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium (CAS 119464-20-9) is a chemical compound with molecular formula C30H60Br2N2O4 and molecular weight 670.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-[4-(2-decoxy-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetate dibromide
Also Known As: 1,4-Bmdp, KST-1B0041, 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium, 1,4-bis[2-(decyloxy)-2-oxoethyl]-1,4-dimethylpiperazinediium dibromide, decyl 2-[4-(2-decoxy-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetate;dibromide
| Molecular Formula | C30H60Br2N2O4 |
|---|---|
| Molecular Weight | 670.29 g/mol |
| LogP | 0.269 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 670.292 |
| Heavy Atoms | 38 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 119464-20-9 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CC[N+](CC1)(C)CC(=O)OCCCCCCCCCC)C.[Br-].[Br-] |
| InChIKey | YEGHWEOIELZXAU-UHFFFAOYSA-L |
Product Overview
1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium (CAS 119464-20-9), with molecular formula C30H60Br2N2O4 and molecular weight 670.29 g/mol. IUPAC: decyl 2-[4-(2-decoxy-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetate dibromide.
Chemical Property Profile of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium
Property Insights of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium
The XLogP value of 0.269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium?
The CAS number of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium is 119464-20-9.
What is the molecular formula of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium?
The molecular formula of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium is C30H60Br2N2O4.
What is the molecular weight of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium?
The molecular weight of 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium is 670.29 g/mol.
Where can I buy 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium?
You can request a quote for 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(N,N-methyl-N,N-decoxycarbonylmethylene)piperazinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.