CTK3E8765
TL;DR: CTK3E8765 (CAS 87233-58-7) is a chemical compound with molecular formula C26H32N4O9 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole
Also Known As: 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate (1:2), 1-(2-(Propargyloxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate
| Molecular Formula | C26H32N4O9 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 1.2516 |
| Topological Polar Surface Area | 182.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.2169 |
| Heavy Atoms | 39 |
| Complexity | 1147.7191 |
Chemical Identifiers
| CAS Number | 87233-58-7 |
|---|---|
| SMILES | CN1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOCC#C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E8765 (CAS 87233-58-7), with molecular formula C26H32N4O9 and molecular weight 544.22 g/mol. IUPAC: bis(but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole.
Chemical Property Profile of CTK3E8765
Property Insights of CTK3E8765
The XLogP value of 1.2516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E8765. The TPSA of 182.73 Ų indicates high polarity, suggesting CTK3E8765 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E8765 has 4 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 CTK3E8765?
The CAS number of CTK3E8765 is 87233-58-7.
What is the molecular formula of CTK3E8765?
The molecular formula of CTK3E8765 is C26H32N4O9.
What is the molecular weight of CTK3E8765?
The molecular weight of CTK3E8765 is 544.22 g/mol.
Where can I buy CTK3E8765?
You can request a quote for CTK3E8765 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E8765?
Yes, KEHONG BIO provides custom synthesis services for CTK3E8765 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.