RefChem:1056642
TL;DR: RefChem:1056642 (CAS 81402-42-8) is a chemical compound with molecular formula C34H43N3O12 and molecular weight 685.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)-N,N-dimethyl-3-phenylpropan-1-amine;tris((E)-but-2-enedioic acid)
Also Known As: N,N-Dimethyl-gamma-phenyl-4-(phenylmethyl)-1-piperazinepropanamine maleate (1:3), 1-Piperazinepropanamine, N,N-dimethyl-gamma-phenyl-4-(phenylmethyl)-, (Z)-2-butenedioate (1:3), 3-(4-benzylpiperazin-1-yl)-N,N-dimethyl-3-phenylpropan-1-amine; (E)-but-2-enedioic acid, RefChem:1056642
| Molecular Formula | C34H43N3O12 |
|---|---|
| Molecular Weight | 685.28 g/mol |
| LogP | 2.6326 |
| Topological Polar Surface Area | 233.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 685.28467 |
| Heavy Atoms | 49 |
| Complexity | 1273.1709 |
Chemical Identifiers
| CAS Number | 81402-42-8 |
|---|---|
| SMILES | CN(CCC(N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3)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
RefChem:1056642 (CAS 81402-42-8), with molecular formula C34H43N3O12 and molecular weight 685.28 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-N,N-dimethyl-3-phenylpropan-1-amine;tris((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1056642
Property Insights of RefChem:1056642
The XLogP value of 2.6326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056642. The TPSA of 233.52 Ų indicates high polarity, suggesting RefChem:1056642 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056642 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 RefChem:1056642?
The CAS number of RefChem:1056642 is 81402-42-8.
What is the molecular formula of RefChem:1056642?
The molecular formula of RefChem:1056642 is C34H43N3O12.
What is the molecular weight of RefChem:1056642?
The molecular weight of RefChem:1056642 is 685.28 g/mol.
Where can I buy RefChem:1056642?
You can request a quote for RefChem:1056642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056642?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.