RefChem:1057840
TL;DR: RefChem:1057840 (CAS 17817-90-2) is a chemical compound with molecular formula C18H29ClN4 and molecular weight 336.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium chloride
Also Known As: Benzimidazole, 1-(2-(dimethylamino)-1-methylethyl)-2-(2-(pyrrolidin-1-yl)ethyl)-, hydrochloride, 1-(2-(Dimethylamino)-1-methylethyl)-2-(2-(pyrrolidin-1-yl)ethyl)benzimidazole hydrochloride, dimethyl-[2-[2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium chloride, 1H-Benzimidazole-1-ethanamine, N,N,beta-trimethyl-2-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride (1:1), RefChem:1057840
| Molecular Formula | C18H29ClN4 |
|---|---|
| Molecular Weight | 336.21 g/mol |
| LogP | -1.62 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.20807 |
| Heavy Atoms | 23 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 17817-90-2 |
|---|---|
| SMILES | CC(C[NH+](C)C)N1C2=CC=CC=C2N=C1CCN3CCCC3.[Cl-] |
| InChIKey | ZNULEZHUULVBMP-UHFFFAOYSA-N |
Product Overview
RefChem:1057840 (CAS 17817-90-2), with molecular formula C18H29ClN4 and molecular weight 336.21 g/mol. IUPAC: dimethyl-[2-[2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium chloride.
Chemical Property Profile of RefChem:1057840
Property Insights of RefChem:1057840
The XLogP value of -1.62 indicates that RefChem:1057840 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.5 Ų, RefChem:1057840 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057840 has 1 hydrogen bond donor(s) and 3 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:1057840?
The CAS number of RefChem:1057840 is 17817-90-2.
What is the molecular formula of RefChem:1057840?
The molecular formula of RefChem:1057840 is C18H29ClN4.
What is the molecular weight of RefChem:1057840?
The molecular weight of RefChem:1057840 is 336.21 g/mol.
Where can I buy RefChem:1057840?
You can request a quote for RefChem:1057840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057840?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.