RefChem:325804
TL;DR: RefChem:325804 (CAS 102516-95-0) is a chemical compound with molecular formula C22H31Cl2N3O2 and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride
Also Known As: Benzimidazole, 1-(2-(diethylamino)ethyl)-2-(3,4-dimethoxybenzyl)-, dihydrochloride, 1-(2-Diethylaminoethyl)-2-(3,4-dimethoxybenzyl)-benzimidazole dihydroc hloride, 1-(2-Diethylaminoethyl)-2-(3,4-dimethoxybenzyl)-benzimidazole dihydrochloride, 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;dichloride, 2-[(benzylammonio)methyl]-6-chloro-1h-benzimidazol-3-ium dichloride
| Molecular Formula | C22H31Cl2N3O2 |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 42.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.17932 |
| Heavy Atoms | 29 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 102516-95-0 |
|---|---|
| SMILES | CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)CC3=CC(=C(C=C3)OC)OC.[Cl-].[Cl-] |
| InChIKey | YCDWXLPJYMLXFF-UHFFFAOYSA-N |
Product Overview
RefChem:325804 (CAS 102516-95-0), with molecular formula C22H31Cl2N3O2 and molecular weight 439.18 g/mol. IUPAC: 2-[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium dichloride.
Chemical Property Profile of RefChem:325804
Property Insights of RefChem:325804
The XLogP value of -4.0 indicates that RefChem:325804 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.6 Ų, RefChem:325804 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:325804 has 2 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:325804?
The CAS number of RefChem:325804 is 102516-95-0.
What is the molecular formula of RefChem:325804?
The molecular formula of RefChem:325804 is C22H31Cl2N3O2.
What is the molecular weight of RefChem:325804?
The molecular weight of RefChem:325804 is 439.18 g/mol.
Where can I buy RefChem:325804?
You can request a quote for RefChem:325804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325804?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.