CTK1H0535
TL;DR: CTK1H0535 (CAS 53859-10-2) is a chemical compound with molecular formula C27H35ClN2O7 and molecular weight 534.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-[2-[2-[4-[[4-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
Also Known As: but-2-enedioic acid; 2-[2-[2-[4-[[4-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
| Molecular Formula | C27H35ClN2O7 |
|---|---|
| Molecular Weight | 534.21 g/mol |
| LogP | 2.86 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 534.21326 |
| Heavy Atoms | 37 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 53859-10-2 |
|---|---|
| SMILES | C1CN(CCN1CCOCCOCCO)CC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | IHPITUJOTLTARC-UHFFFAOYSA-N |
Product Overview
CTK1H0535 (CAS 53859-10-2), with molecular formula C27H35ClN2O7 and molecular weight 534.21 g/mol. IUPAC: but-2-enedioic acid;2-[2-[2-[4-[[4-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol.
Chemical Property Profile of CTK1H0535
Property Insights of CTK1H0535
The XLogP value of 2.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1H0535. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1H0535. Following Lipinski's Rule of Five, CTK1H0535 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK1H0535?
The CAS number of CTK1H0535 is 53859-10-2.
What is the molecular formula of CTK1H0535?
The molecular formula of CTK1H0535 is C27H35ClN2O7.
What is the molecular weight of CTK1H0535?
The molecular weight of CTK1H0535 is 534.21 g/mol.
Where can I buy CTK1H0535?
You can request a quote for CTK1H0535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1H0535?
Yes, KEHONG BIO provides custom synthesis services for CTK1H0535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.