CTK3E9022
TL;DR: CTK3E9022 (CAS 81402-44-0) is a chemical compound with molecular formula C26H37N3O10 and molecular weight 551.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);ethyl 4-[3-(dimethylamino)-1-phenylpropyl]piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(3-(dimethylamino)-1-phenylpropyl)-, ethyl ester, (Z)-2-butenedioate (1:2), 1-(3-Dimethylamino-1-phenylpropyl)-4-(ethoxycarbonyl)piperazine bis(hydrogen maleate)
| Molecular Formula | C26H37N3O10 |
|---|---|
| Molecular Weight | 551.25 g/mol |
| LogP | 1.8771 |
| Topological Polar Surface Area | 185.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 551.2479 |
| Heavy Atoms | 39 |
| Complexity | 905.4553 |
Chemical Identifiers
| CAS Number | 81402-44-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(CCN(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E9022 (CAS 81402-44-0), with molecular formula C26H37N3O10 and molecular weight 551.25 g/mol. IUPAC: bis(but-2-enedioic acid);ethyl 4-[3-(dimethylamino)-1-phenylpropyl]piperazine-1-carboxylate.
Chemical Property Profile of CTK3E9022
Property Insights of CTK3E9022
The XLogP value of 1.8771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E9022. The TPSA of 185.22 Ų indicates high polarity, suggesting CTK3E9022 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9022 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3E9022?
The CAS number of CTK3E9022 is 81402-44-0.
What is the molecular formula of CTK3E9022?
The molecular formula of CTK3E9022 is C26H37N3O10.
What is the molecular weight of CTK3E9022?
The molecular weight of CTK3E9022 is 551.25 g/mol.
Where can I buy CTK3E9022?
You can request a quote for CTK3E9022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9022?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.