1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)
TL;DR: 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) (CAS 81402-36-0) is a chemical compound with molecular formula C28H39N3O12 and molecular weight 609.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris((E)-but-2-enedioic acid);N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenylpropan-1-amine
Also Known As: gamma-Phenyl-N,N,4-trimethyl-1-piperazinepropanamine maleate (1:3), 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3), (E)-but-2-enedioic acid; N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenylpropan-1-amine, N,N-Dimethyl-3-(4-methyl-1-piperazinyl)-3-phenyl-1-propanamine (2 E)-2-butenedioate (1:3), RefChem:1056639
| Molecular Formula | C28H39N3O12 |
|---|---|
| Molecular Weight | 609.25 g/mol |
| LogP | 1.0622 |
| Topological Polar Surface Area | 233.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 609.25336 |
| Heavy Atoms | 43 |
| Complexity | 980.4108 |
Chemical Identifiers
| CAS Number | 81402-36-0 |
|---|---|
| SMILES | CN1CCN(CC1)C(C2=CC=CC=C2)CCN(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) (CAS 81402-36-0), with molecular formula C28H39N3O12 and molecular weight 609.25 g/mol. IUPAC: tris((E)-but-2-enedioic acid);N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenylpropan-1-amine.
Chemical Property Profile of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)
Property Insights of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)
The XLogP value of 1.0622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3). The TPSA of 233.52 Ų indicates high polarity, suggesting 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)?
The CAS number of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) is 81402-36-0.
What is the molecular formula of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)?
The molecular formula of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) is C28H39N3O12.
What is the molecular weight of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)?
The molecular weight of 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) is 609.25 g/mol.
Where can I buy 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)?
You can request a quote for 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanamine, gamma-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.