Benzimidazole, 2-tert-butyl-4,5,6-trichloro-
TL;DR: Benzimidazole, 2-tert-butyl-4,5,6-trichloro- (CAS 102516-89-2) is a chemical compound with molecular formula C11H11Cl3N2 and molecular weight 276.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4,5,6-trichloro-1H-benzimidazole
Also Known As: 2-tert-Butyl-4,5,6-trichlorobenzimidazole, BENZIMIDAZOLE, 2-tert-BUTYL-4,5,6-TRICHLORO-, 2-tert-butyl-4,5,6-trichloro-1H-benzimidazole, 2-tert-Butyl-4,5,6-trichloro-1H-1,3-benzimidazole, 2-TERT-BUTYL-4,5,6-TRICHLORO-1H-1,3-BENZODIAZOLE
| Molecular Formula | C11H11Cl3N2 |
|---|---|
| Molecular Weight | 276.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.99878 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 102516-89-2 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=C(C(=C(C=C2N1)Cl)Cl)Cl |
| InChIKey | NVTLRLSWZNYVJC-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 2-tert-butyl-4,5,6-trichloro- (CAS 102516-89-2), with molecular formula C11H11Cl3N2 and molecular weight 276.00 g/mol. IUPAC: 2-tert-butyl-4,5,6-trichloro-1H-benzimidazole.
Chemical Property Profile of Benzimidazole, 2-tert-butyl-4,5,6-trichloro-
Property Insights of Benzimidazole, 2-tert-butyl-4,5,6-trichloro-
The XLogP value of 5.1 indicates that Benzimidazole, 2-tert-butyl-4,5,6-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, Benzimidazole, 2-tert-butyl-4,5,6-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole, 2-tert-butyl-4,5,6-trichloro- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzimidazole, 2-tert-butyl-4,5,6-trichloro-?
The CAS number of Benzimidazole, 2-tert-butyl-4,5,6-trichloro- is 102516-89-2.
What is the molecular formula of Benzimidazole, 2-tert-butyl-4,5,6-trichloro-?
The molecular formula of Benzimidazole, 2-tert-butyl-4,5,6-trichloro- is C11H11Cl3N2.
What is the molecular weight of Benzimidazole, 2-tert-butyl-4,5,6-trichloro-?
The molecular weight of Benzimidazole, 2-tert-butyl-4,5,6-trichloro- is 276.00 g/mol.
Where can I buy Benzimidazole, 2-tert-butyl-4,5,6-trichloro-?
You can request a quote for Benzimidazole, 2-tert-butyl-4,5,6-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 2-tert-butyl-4,5,6-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 2-tert-butyl-4,5,6-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.