CTK3I8499
TL;DR: CTK3I8499 (CAS 93857-68-2) is a chemical compound with molecular formula C23H27Cl3N4 and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[3-(5-chloro-1-ethyl-3-methyl-1,2-dihydrobenzimidazol-1-ium-2-yl)prop-2-enylidene]-1-ethyl-3-methylbenzimidazole chloride
Also Known As: 5-Chloro-2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-methyl-1H-benzimidazolium chloride
| Molecular Formula | C23H27Cl3N4 |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 1.6835 |
| Topological Polar Surface Area | 14.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.13013 |
| Heavy Atoms | 30 |
| Complexity | 988.4087 |
Chemical Identifiers
| CAS Number | 93857-68-2 |
|---|---|
| SMILES | CC[NH+]1C(N(C2=C1C=CC(=C2)Cl)C)C=CC=C3N(C4=C(N3CC)C=CC(=C4)Cl)C.[Cl-] |
Product Overview
CTK3I8499 (CAS 93857-68-2), with molecular formula C23H27Cl3N4 and molecular weight 464.13 g/mol. IUPAC: 5-chloro-2-[3-(5-chloro-1-ethyl-3-methyl-1,2-dihydrobenzimidazol-1-ium-2-yl)prop-2-enylidene]-1-ethyl-3-methylbenzimidazole chloride.
Chemical Property Profile of CTK3I8499
Property Insights of CTK3I8499
The XLogP value of 1.6835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3I8499. With a topological polar surface area (TPSA) of 14.16 Ų, CTK3I8499 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK3I8499 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3I8499?
The CAS number of CTK3I8499 is 93857-68-2.
What is the molecular formula of CTK3I8499?
The molecular formula of CTK3I8499 is C23H27Cl3N4.
What is the molecular weight of CTK3I8499?
The molecular weight of CTK3I8499 is 464.13 g/mol.
Where can I buy CTK3I8499?
You can request a quote for CTK3I8499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3I8499?
Yes, KEHONG BIO provides custom synthesis services for CTK3I8499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.