4,5,6-trichloro-1H-benzoimidazole
TL;DR: 4,5,6-trichloro-1H-benzoimidazole (CAS 4812-43-5) is a chemical compound with molecular formula C7H3Cl3N2 and molecular weight 219.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trichloro-1H-benzimidazole
Also Known As: 4,5,6-trichloro-1H-benzoimidazole, 4,5,6-trichloro-1H-benzimidazole, 4,5,6-Trichloro-1H-1,3-benzimidazole
| Molecular Formula | C7H3Cl3N2 |
|---|---|
| Molecular Weight | 219.94 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.93619 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 4812-43-5 |
|---|---|
| SMILES | C1=C2C(=C(C(=C1Cl)Cl)Cl)N=CN2 |
| InChIKey | QULAOTHQGHPERK-UHFFFAOYSA-N |
Product Overview
4,5,6-trichloro-1H-benzoimidazole (CAS 4812-43-5), with molecular formula C7H3Cl3N2 and molecular weight 219.94 g/mol. IUPAC: 4,5,6-trichloro-1H-benzimidazole.
Chemical Property Profile of 4,5,6-trichloro-1H-benzoimidazole
Property Insights of 4,5,6-trichloro-1H-benzoimidazole
The XLogP value of 3.4 indicates that 4,5,6-trichloro-1H-benzoimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 4,5,6-trichloro-1H-benzoimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-trichloro-1H-benzoimidazole has 1 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 4,5,6-trichloro-1H-benzoimidazole?
The CAS number of 4,5,6-trichloro-1H-benzoimidazole is 4812-43-5.
What is the molecular formula of 4,5,6-trichloro-1H-benzoimidazole?
The molecular formula of 4,5,6-trichloro-1H-benzoimidazole is C7H3Cl3N2.
What is the molecular weight of 4,5,6-trichloro-1H-benzoimidazole?
The molecular weight of 4,5,6-trichloro-1H-benzoimidazole is 219.94 g/mol.
Where can I buy 4,5,6-trichloro-1H-benzoimidazole?
You can request a quote for 4,5,6-trichloro-1H-benzoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-trichloro-1H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-trichloro-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.