2-chloro-1-ethyl-1H-1,3-benzodiazole
TL;DR: 2-chloro-1-ethyl-1H-1,3-benzodiazole (CAS 58533-15-6) is a chemical compound with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-ethylbenzimidazole
Also Known As: 2-Chloro-1-ethyl-1H-benzo[d]imidazole, 2-chloro-1-ethylbenzimidazole, 2-chloro-1-ethyl-1H-benzimidazole, 2-chloro-1-ethyl palmitate, 1H-Benzimidazole,2-chloro-1-ethyl-(9CI)
| Molecular Formula | C9H9ClN2 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 2.7096 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04543 |
| Heavy Atoms | 12 |
| Complexity | 405.82077 |
Chemical Identifiers
| CAS Number | 58533-15-6 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N=C1Cl |
Product Overview
2-chloro-1-ethyl-1H-1,3-benzodiazole (CAS 58533-15-6), with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol. IUPAC: 2-chloro-1-ethylbenzimidazole.
Chemical Property Profile of 2-chloro-1-ethyl-1H-1,3-benzodiazole
Property Insights of 2-chloro-1-ethyl-1H-1,3-benzodiazole
The XLogP value of 2.7096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-ethyl-1H-1,3-benzodiazole. With a topological polar surface area (TPSA) of 17.82 Ų, 2-chloro-1-ethyl-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-ethyl-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 1 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 2-chloro-1-ethyl-1H-1,3-benzodiazole?
The CAS number of 2-chloro-1-ethyl-1H-1,3-benzodiazole is 58533-15-6.
What is the molecular formula of 2-chloro-1-ethyl-1H-1,3-benzodiazole?
The molecular formula of 2-chloro-1-ethyl-1H-1,3-benzodiazole is C9H9ClN2.
What is the molecular weight of 2-chloro-1-ethyl-1H-1,3-benzodiazole?
The molecular weight of 2-chloro-1-ethyl-1H-1,3-benzodiazole is 180.05 g/mol.
Where can I buy 2-chloro-1-ethyl-1H-1,3-benzodiazole?
You can request a quote for 2-chloro-1-ethyl-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-1-ethyl-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-ethyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.