RefChem:325796
TL;DR: RefChem:325796 (CAS 4929-82-2) is a chemical compound with molecular formula C21H31Cl3N4S and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride
Also Known As: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-(ethylamino)phenyl)thio)-, trihydrochloride, 1-(2-(Diethylamino)ethyl)-2-((p-(ethylamino)phenyl)thio)benzimidazole trihydrochloride, diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride, RefChem:325796
| Molecular Formula | C21H31Cl3N4S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | -7.24 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.1335 |
| Heavy Atoms | 29 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 4929-82-2 |
|---|---|
| SMILES | CC[NH2+]C1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+](CC)CC.[Cl-].[Cl-].[Cl-] |
| InChIKey | OBMVUGVBWJUFDD-UHFFFAOYSA-N |
Product Overview
RefChem:325796 (CAS 4929-82-2), with molecular formula C21H31Cl3N4S and molecular weight 476.13 g/mol. IUPAC: diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride.
Chemical Property Profile of RefChem:325796
Property Insights of RefChem:325796
The XLogP value of -7.24 indicates that RefChem:325796 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:325796. Following Lipinski's Rule of Five, RefChem:325796 has 3 hydrogen bond donor(s) and 4 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 RefChem:325796?
The CAS number of RefChem:325796 is 4929-82-2.
What is the molecular formula of RefChem:325796?
The molecular formula of RefChem:325796 is C21H31Cl3N4S.
What is the molecular weight of RefChem:325796?
The molecular weight of RefChem:325796 is 476.13 g/mol.
Where can I buy RefChem:325796?
You can request a quote for RefChem:325796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325796?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.