RefChem:79722
TL;DR: RefChem:79722 (CAS 32915-71-2) is a chemical compound with molecular formula C16H25Cl4N3 and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)-N,N-diethylethanamine;chloride;hydrochloride
Also Known As: 1H-Benzimidazolium, 5,6-dichloro-3-(2-(diethylamino)ethyl)-1-ethyl-2-methyl-, chloride, hydrochloride (1:1:1), 5,6-dichloro-1-[2-(diethylamino)ethyl]-3-ethyl-2-methyl-1h-benzimidazol-3-ium chloride hydrochloride(1:1:1), Benzimidazolium, 5,6-dichloro-3-(2-(diethylamino)ethyl)-1-ethyl-2-methyl-, chloride, monohydrochloride, 1H-Benzimidazolium, 5,6-dichloro-1-(2-(diethylamino)ethyl)-3-ethyl-2-methyl-, chloride, monohydrochloride, 2-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)-N,N-diethylethanamine chloride hydrochloride
| Molecular Formula | C16H25Cl4N3 |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 1.33 |
| Topological Polar Surface Area | 12.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.0773 |
| Heavy Atoms | 23 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 32915-71-2 |
|---|---|
| SMILES | CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCN(CC)CC)C.Cl.[Cl-] |
| InChIKey | GBNSKCPVDPAKLN-UHFFFAOYSA-M |
Product Overview
RefChem:79722 (CAS 32915-71-2), with molecular formula C16H25Cl4N3 and molecular weight 399.08 g/mol. IUPAC: 2-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)-N,N-diethylethanamine;chloride;hydrochloride.
Chemical Property Profile of RefChem:79722
Property Insights of RefChem:79722
The XLogP value of 1.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79722. With a topological polar surface area (TPSA) of 12.1 Ų, RefChem:79722 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79722 has 1 hydrogen bond donor(s) and 2 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:79722?
The CAS number of RefChem:79722 is 32915-71-2.
What is the molecular formula of RefChem:79722?
The molecular formula of RefChem:79722 is C16H25Cl4N3.
What is the molecular weight of RefChem:79722?
The molecular weight of RefChem:79722 is 399.08 g/mol.
Where can I buy RefChem:79722?
You can request a quote for RefChem:79722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79722?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.