CTK1A7819
TL;DR: CTK1A7819 (CAS 28044-40-8) is a chemical compound with molecular formula C25H35N3O9 and molecular weight 521.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N-propan-2-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
Also Known As: N-Isopropyl-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)allyl)piperazine-1-acetamide maleate, (Z)-but-2-enedioic acid;N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
| Molecular Formula | C25H35N3O9 |
|---|---|
| Molecular Weight | 521.24 g/mol |
| LogP | 1.1062 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.2373 |
| Heavy Atoms | 37 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 28044-40-8 |
|---|---|
| SMILES | CC(C)NC(=O)CN1CCN(CC1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC.C(=CC(=O)O)C(=O)O |
| InChIKey | WOSAGTMAYYLCTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK1A7819 (CAS 28044-40-8), with molecular formula C25H35N3O9 and molecular weight 521.24 g/mol. IUPAC: but-2-enedioic acid;N-propan-2-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide.
Chemical Property Profile of CTK1A7819
Property Insights of CTK1A7819
The XLogP value of 1.1062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1A7819. The TPSA of 155.0 Ų indicates high polarity, suggesting CTK1A7819 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK1A7819 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK1A7819?
The CAS number of CTK1A7819 is 28044-40-8.
What is the molecular formula of CTK1A7819?
The molecular formula of CTK1A7819 is C25H35N3O9.
What is the molecular weight of CTK1A7819?
The molecular weight of CTK1A7819 is 521.24 g/mol.
Where can I buy CTK1A7819?
You can request a quote for CTK1A7819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1A7819?
Yes, KEHONG BIO provides custom synthesis services for CTK1A7819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.