CTK3E9723
TL;DR: CTK3E9723 (CAS 81402-48-4) 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(but-2-enedioic acid);N,N-dimethyl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
Also Known As: 1-Piperazinepropanamine, alpha-phenyl-N,N,4-trimethyl-, (Z)-2-butenedioate (1:3), alpha-Phenyl-N,N,4-trimethyl-1-piperazinepropanamine maleate (1:3)
| 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 | 81402-48-4 |
|---|---|
| SMILES | CN1CCN(CC1)CCC(C2=CC=CC=C2)N(C)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E9723 (CAS 81402-48-4), with molecular formula C28H39N3O12 and molecular weight 609.25 g/mol. IUPAC: tris(but-2-enedioic acid);N,N-dimethyl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine.
Chemical Property Profile of CTK3E9723
Property Insights of CTK3E9723
The XLogP value of 1.0622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E9723. The TPSA of 233.52 Ų indicates high polarity, suggesting CTK3E9723 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9723 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 CTK3E9723?
The CAS number of CTK3E9723 is 81402-48-4.
What is the molecular formula of CTK3E9723?
The molecular formula of CTK3E9723 is C28H39N3O12.
What is the molecular weight of CTK3E9723?
The molecular weight of CTK3E9723 is 609.25 g/mol.
Where can I buy CTK3E9723?
You can request a quote for CTK3E9723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9723?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.