1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride
TL;DR: 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride (CAS 64398-11-4) is a chemical compound with molecular formula C11H16Cl3N3 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-N-(2-chloroethyl)ethanamine;dihydrochloride
Also Known As: 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride, N-(2-Chloroethyl)-1H-benzimidazole-2-ethanamine dihydrochloride, 2-(1H-benzimidazol-2-yl)-N-(2-chloroethyl)ethanamine dihydrochloride, 2-(1H-1,3-Benzimidazol-2-yl)-N-(2-chloroethyl)ethan-1-amine--hydrogen chloride (1/2)
| Molecular Formula | C11H16Cl3N3 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 2.7774 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.041 |
| Heavy Atoms | 17 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 64398-11-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CCNCCCl.Cl.Cl |
| InChIKey | JSKQOXZVBCDXML-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride (CAS 64398-11-4), with molecular formula C11H16Cl3N3 and molecular weight 295.04 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-N-(2-chloroethyl)ethanamine;dihydrochloride.
Chemical Property Profile of 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride
Property Insights of 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride
The XLogP value of 2.7774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 40.7 Ų, 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride has 4 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 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride?
The CAS number of 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride is 64398-11-4.
What is the molecular formula of 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride?
The molecular formula of 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride is C11H16Cl3N3.
What is the molecular weight of 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride?
The molecular weight of 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride is 295.04 g/mol.
Where can I buy 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride?
You can request a quote for 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-ethanamine, N-(2-chloroethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.