RefChem:325823
TL;DR: RefChem:325823 (CAS 17817-79-7) is a chemical compound with molecular formula C18H28ClN5O2 and molecular weight 381.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-[5-nitro-2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium chloride
Also Known As: Benzimidazole, 1-(3-dimethylaminopropyl)-5-nitro-2-(pyrrolidin-1-yl)ethyl-, hydrochloride, 1-(3-Dimethylaminopropyl)-5-nitro-2-(pyrrolidin-1-yl)ethylbenzimidazole hydrochloride, dimethyl-[3-[5-nitro-2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium chloride, RefChem:325823
| Molecular Formula | C18H28ClN5O2 |
|---|---|
| Molecular Weight | 381.19 g/mol |
| LogP | -1.88 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.19315 |
| Heavy Atoms | 26 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 17817-79-7 |
|---|---|
| SMILES | C[NH+](C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCCC3.[Cl-] |
| InChIKey | AZFIBHSHETUYNP-UHFFFAOYSA-N |
Product Overview
RefChem:325823 (CAS 17817-79-7), with molecular formula C18H28ClN5O2 and molecular weight 381.19 g/mol. IUPAC: dimethyl-[3-[5-nitro-2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium chloride.
Chemical Property Profile of RefChem:325823
Property Insights of RefChem:325823
The XLogP value of -1.88 indicates that RefChem:325823 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:325823. Following Lipinski's Rule of Five, RefChem:325823 has 1 hydrogen bond donor(s) and 5 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:325823?
The CAS number of RefChem:325823 is 17817-79-7.
What is the molecular formula of RefChem:325823?
The molecular formula of RefChem:325823 is C18H28ClN5O2.
What is the molecular weight of RefChem:325823?
The molecular weight of RefChem:325823 is 381.19 g/mol.
Where can I buy RefChem:325823?
You can request a quote for RefChem:325823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325823?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.