CTK3E8971
TL;DR: CTK3E8971 (CAS 81402-40-6) is a chemical compound with molecular formula C29H37N3O8 and molecular weight 555.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);N,N-dimethyl-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-amine
Also Known As: N,N-Dimethyl-gamma,4-diphenyl-1-piperazinepropanamine maleate (1:2), 1-Piperazinepropanamine, N,N-dimethyl-gamma,4-diphenyl-, (Z)-2-butenedioate (1:2)
| Molecular Formula | C29H37N3O8 |
|---|---|
| Molecular Weight | 555.26 g/mol |
| LogP | 2.9252 |
| Topological Polar Surface Area | 158.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 555.25806 |
| Heavy Atoms | 40 |
| Complexity | 1046.6138 |
Chemical Identifiers
| CAS Number | 81402-40-6 |
|---|---|
| SMILES | CN(C)CCC(C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E8971 (CAS 81402-40-6), with molecular formula C29H37N3O8 and molecular weight 555.26 g/mol. IUPAC: bis(but-2-enedioic acid);N,N-dimethyl-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-amine.
Chemical Property Profile of CTK3E8971
Property Insights of CTK3E8971
The XLogP value of 2.9252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E8971. The TPSA of 158.92 Ų indicates high polarity, suggesting CTK3E8971 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E8971 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3E8971?
The CAS number of CTK3E8971 is 81402-40-6.
What is the molecular formula of CTK3E8971?
The molecular formula of CTK3E8971 is C29H37N3O8.
What is the molecular weight of CTK3E8971?
The molecular weight of CTK3E8971 is 555.26 g/mol.
Where can I buy CTK3E8971?
You can request a quote for CTK3E8971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E8971?
Yes, KEHONG BIO provides custom synthesis services for CTK3E8971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.