CTK2H9347
TL;DR: CTK2H9347 (CAS 76823-83-1) is a chemical compound with molecular formula C41H41ClN2O7 and molecular weight 708.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-[2-(3-benzoylphenyl)propanoyl] 1-O-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl] but-2-enedioate
Also Known As: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)propanoyl (Z)-but-2-enedioate
| Molecular Formula | C41H41ClN2O7 |
|---|---|
| Molecular Weight | 708.26 g/mol |
| LogP | 6.2675 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 708.26025 |
| Heavy Atoms | 51 |
| Complexity | 1789.9678 |
Chemical Identifiers
| CAS Number | 76823-83-1 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OC(=O)C=CC(=O)OCCOCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
CTK2H9347 (CAS 76823-83-1), with molecular formula C41H41ClN2O7 and molecular weight 708.26 g/mol. IUPAC: 4-O-[2-(3-benzoylphenyl)propanoyl] 1-O-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl] but-2-enedioate.
Chemical Property Profile of CTK2H9347
Property Insights of CTK2H9347
The XLogP value of 6.2675 indicates that CTK2H9347 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK2H9347. Following Lipinski's Rule of Five, CTK2H9347 has 0 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 CTK2H9347?
The CAS number of CTK2H9347 is 76823-83-1.
What is the molecular formula of CTK2H9347?
The molecular formula of CTK2H9347 is C41H41ClN2O7.
What is the molecular weight of CTK2H9347?
The molecular weight of CTK2H9347 is 708.26 g/mol.
Where can I buy CTK2H9347?
You can request a quote for CTK2H9347 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2H9347?
Yes, KEHONG BIO provides custom synthesis services for CTK2H9347 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.