RefChem:301148
TL;DR: RefChem:301148 (CAS 15419-87-1) is a chemical compound with molecular formula C23H29ClN4O and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-cyano-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethylazanium chloride
Also Known As: 1-(2-(Diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolecarbonitrile hydrochloride, 5-Benzimidazolecarbonitrile, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-, monohydrochloride, 2-[5-cyano-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethylazanium chloride, 2-[5-cyano-2-(4-ethoxybenzyl)-1H-benzimidazol-1-yl]-N,N-diethylethanaminium chloride, 5-BENZIMIDAZOLECARBONITRILE, 1-(2-(DIETHYLAMINO)ETHYL)-2-(p-ETHOXYBENZYL)-, MONO
| Molecular Formula | C23H29ClN4O |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | -0.17 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.203 |
| Heavy Atoms | 29 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 15419-87-1 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C(C=C(C=C2)C#N)N=C1CC3=CC=C(C=C3)OCC.[Cl-] |
| InChIKey | KMQTVMIWWCPZOU-UHFFFAOYSA-N |
Product Overview
RefChem:301148 (CAS 15419-87-1), with molecular formula C23H29ClN4O and molecular weight 412.20 g/mol. IUPAC: 2-[5-cyano-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:301148
Property Insights of RefChem:301148
The XLogP value of -0.17 indicates that RefChem:301148 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.3 Ų, RefChem:301148 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:301148 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:301148?
The CAS number of RefChem:301148 is 15419-87-1.
What is the molecular formula of RefChem:301148?
The molecular formula of RefChem:301148 is C23H29ClN4O.
What is the molecular weight of RefChem:301148?
The molecular weight of RefChem:301148 is 412.20 g/mol.
Where can I buy RefChem:301148?
You can request a quote for RefChem:301148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301148?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.