CTK3J9824
TL;DR: CTK3J9824 (CAS 101477-51-4) is a chemical compound with molecular formula C31H35FN2O7 and molecular weight 566.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[(4-fluorophenyl)-phenylmethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Also Known As: 1-(2,3,4-Trimethoxybenzyl)-4-(4-fluorobenzhydryl)piperazine fumarate, 1-((4-FLUOROPHENYL)BENZYL)-4-((2,3,4-TRIMETHOXYPHENYL)METHYL)PIPERAZINE FUMARATE, 1-((4-Fluorophenyl)phenylmethyl)-4-((2,3,4-trimethoxyphenyl)methyl)piperazine fumarate, Piperazine, 1-((4-fluorophenyl)phenylmethyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C31H35FN2O7 |
|---|---|
| Molecular Weight | 566.24 g/mol |
| LogP | 4.4705 |
| Topological Polar Surface Area | 108.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.24286 |
| Heavy Atoms | 41 |
| Complexity | 1292.0466 |
Chemical Identifiers
| CAS Number | 101477-51-4 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)F)OC)OC.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3J9824 (CAS 101477-51-4), with molecular formula C31H35FN2O7 and molecular weight 566.24 g/mol. IUPAC: but-2-enedioic acid;1-[(4-fluorophenyl)-phenylmethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
Chemical Property Profile of CTK3J9824
Property Insights of CTK3J9824
The XLogP value of 4.4705 indicates that CTK3J9824 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.77 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3J9824. Following Lipinski's Rule of Five, CTK3J9824 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3J9824?
The CAS number of CTK3J9824 is 101477-51-4.
What is the molecular formula of CTK3J9824?
The molecular formula of CTK3J9824 is C31H35FN2O7.
What is the molecular weight of CTK3J9824?
The molecular weight of CTK3J9824 is 566.24 g/mol.
Where can I buy CTK3J9824?
You can request a quote for CTK3J9824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3J9824?
Yes, KEHONG BIO provides custom synthesis services for CTK3J9824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.