CTK5F5520
TL;DR: CTK5F5520 (CAS 85690-03-5) is a chemical compound with molecular formula C27H38N2O10 and molecular weight 550.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);1-(4-cyclopentylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
Also Known As: alpha-(4-Cyclopentylphenyl)-1,4-piperazinediethanol (Z)-2-butenedioate (1:2), 1,4-Piperazinediethanol, alpha-(4-cyclopentylphenyl)-, (Z)-2-butenedioate (1:2)
| Molecular Formula | C27H38N2O10 |
|---|---|
| Molecular Weight | 550.25 g/mol |
| LogP | 1.4111 |
| Topological Polar Surface Area | 196.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 550.2526 |
| Heavy Atoms | 39 |
| Complexity | 897.2848 |
Chemical Identifiers
| CAS Number | 85690-03-5 |
|---|---|
| SMILES | C1CCC(C1)C2=CC=C(C=C2)C(CN3CCN(CC3)CCO)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5F5520 (CAS 85690-03-5), with molecular formula C27H38N2O10 and molecular weight 550.25 g/mol. IUPAC: bis(but-2-enedioic acid);1-(4-cyclopentylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol.
Chemical Property Profile of CTK5F5520
Property Insights of CTK5F5520
The XLogP value of 1.4111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5F5520. The TPSA of 196.14 Ų indicates high polarity, suggesting CTK5F5520 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5F5520 has 6 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 CTK5F5520?
The CAS number of CTK5F5520 is 85690-03-5.
What is the molecular formula of CTK5F5520?
The molecular formula of CTK5F5520 is C27H38N2O10.
What is the molecular weight of CTK5F5520?
The molecular weight of CTK5F5520 is 550.25 g/mol.
Where can I buy CTK5F5520?
You can request a quote for CTK5F5520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F5520?
Yes, KEHONG BIO provides custom synthesis services for CTK5F5520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.