RefChem:325798
TL;DR: RefChem:325798 (CAS 4929-77-5) is a chemical compound with molecular formula C21H28ClN3OS and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]ethyl-diethylazanium chloride
Also Known As: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-ethoxyphenyl)thio)-, hydrochloride, 1-(2-(Diethylamino)ethyl)-2-((p-ethoxyphenyl)thio)benzimidazole hydrochloride, 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]ethyl-diethylazanium chloride, RefChem:325798
| Molecular Formula | C21H28ClN3OS |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 0.51 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.16415 |
| Heavy Atoms | 27 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 4929-77-5 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=CC=CC=C2N=C1SC3=CC=C(C=C3)OCC.[Cl-] |
| InChIKey | IAJXTNHWVMRAEC-UHFFFAOYSA-N |
Product Overview
RefChem:325798 (CAS 4929-77-5), with molecular formula C21H28ClN3OS and molecular weight 405.16 g/mol. IUPAC: 2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:325798
Property Insights of RefChem:325798
The XLogP value of 0.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:325798. With a topological polar surface area (TPSA) of 56.8 Ų, RefChem:325798 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:325798 has 1 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:325798?
The CAS number of RefChem:325798 is 4929-77-5.
What is the molecular formula of RefChem:325798?
The molecular formula of RefChem:325798 is C21H28ClN3OS.
What is the molecular weight of RefChem:325798?
The molecular weight of RefChem:325798 is 405.16 g/mol.
Where can I buy RefChem:325798?
You can request a quote for RefChem:325798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325798?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.