CTK4H8560
TL;DR: CTK4H8560 (CAS 37652-69-0) is a chemical compound with molecular formula C26H32N2O6 and molecular weight 468.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;methyl 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanoate
Also Known As: 4-((2-(Phenylmethyl)phenyl)methyl)-1-piperazinepropanoic acid methyl ester maleate, METHYL 3-[4-[(2-BENZYLPHENYL)METHYL]PIPERAZIN-1-YL]PROPANOATE MALEATE, 1-Piperazinepropanoic acid, 4-((2-(phenylmethyl)phenyl)methyl)-, methyl ester, (Z)-2-butenedioate (1:1)
| Molecular Formula | C26H32N2O6 |
|---|---|
| Molecular Weight | 468.23 g/mol |
| LogP | 2.6699 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.22604 |
| Heavy Atoms | 34 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 37652-69-0 |
|---|---|
| SMILES | COC(=O)CCN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O |
| InChIKey | LLGLGGOVOJUEPR-UHFFFAOYSA-N |
Product Overview
CTK4H8560 (CAS 37652-69-0), with molecular formula C26H32N2O6 and molecular weight 468.23 g/mol. IUPAC: but-2-enedioic acid;methyl 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propanoate.
Chemical Property Profile of CTK4H8560
Property Insights of CTK4H8560
The XLogP value of 2.6699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4H8560. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4H8560. Following Lipinski's Rule of Five, CTK4H8560 has 2 hydrogen bond donor(s) and 8 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 CTK4H8560?
The CAS number of CTK4H8560 is 37652-69-0.
What is the molecular formula of CTK4H8560?
The molecular formula of CTK4H8560 is C26H32N2O6.
What is the molecular weight of CTK4H8560?
The molecular weight of CTK4H8560 is 468.23 g/mol.
Where can I buy CTK4H8560?
You can request a quote for CTK4H8560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4H8560?
Yes, KEHONG BIO provides custom synthesis services for CTK4H8560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.