CTK4J4348
TL;DR: CTK4J4348 (CAS 51490-27-8) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-prop-2-ynyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine
Also Known As: 2-(4-Propargylpiperazino)-6,7,8,9-tetrahydro-5H-benzocycloheptene maleate, 1-(2-Propynyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)piperazine maleate, 2-(4-PROPARGYLPIPERAZIN-1-YL)-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENE MALEATE, Piperazine, 1-(2-propynyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 2.4225 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 727.3939 |
Chemical Identifiers
| CAS Number | 51490-27-8 |
|---|---|
| SMILES | C#CCN1CCN(CC1)C2=CC3=C(CCCCC3)C=C2.C(=CC(=O)O)C(=O)O |
Product Overview
CTK4J4348 (CAS 51490-27-8), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: but-2-enedioic acid;1-prop-2-ynyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine.
Chemical Property Profile of CTK4J4348
Property Insights of CTK4J4348
The XLogP value of 2.4225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4J4348. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4J4348. Following Lipinski's Rule of Five, CTK4J4348 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4J4348?
The CAS number of CTK4J4348 is 51490-27-8.
What is the molecular formula of CTK4J4348?
The molecular formula of CTK4J4348 is C22H28N2O4.
What is the molecular weight of CTK4J4348?
The molecular weight of CTK4J4348 is 384.20 g/mol.
Where can I buy CTK4J4348?
You can request a quote for CTK4J4348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4J4348?
Yes, KEHONG BIO provides custom synthesis services for CTK4J4348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.