RefChem:325795
TL;DR: RefChem:325795 (CAS 4929-81-1) is a chemical compound with molecular formula C23H35Cl3N4S and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethylazanium trichloride
Also Known As: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-(diethylamino)phenyl)thio)-, trihydrochloride, hydrate, 1-(2-(Diethylamino)ethyl)-2-((p-(diethylamino)phenyl)thio)benzimidazole 3HCl hydrate, 2-[2-[4-(Diethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium trichloride, BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-((p-(DIETHYLAMINO)PHENYL)THIO)-, TRIH, [4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethylazanium trichloride
| Molecular Formula | C23H35Cl3N4S |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | -6.9 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 504.1648 |
| Heavy Atoms | 31 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 4929-81-1 |
|---|---|
| SMILES | CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)[NH+](CC)CC.[Cl-].[Cl-].[Cl-] |
| InChIKey | DRILCDRZWWHYPC-UHFFFAOYSA-N |
Product Overview
RefChem:325795 (CAS 4929-81-1), with molecular formula C23H35Cl3N4S and molecular weight 504.16 g/mol. IUPAC: [4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethylazanium trichloride.
Chemical Property Profile of RefChem:325795
Property Insights of RefChem:325795
The XLogP value of -6.9 indicates that RefChem:325795 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, RefChem:325795 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:325795 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:325795?
The CAS number of RefChem:325795 is 4929-81-1.
What is the molecular formula of RefChem:325795?
The molecular formula of RefChem:325795 is C23H35Cl3N4S.
What is the molecular weight of RefChem:325795?
The molecular weight of RefChem:325795 is 504.16 g/mol.
Where can I buy RefChem:325795?
You can request a quote for RefChem:325795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.