2-(difluoromethyl)-1H-1,3-benzodiazole
TL;DR: 2-(difluoromethyl)-1H-1,3-benzodiazole (CAS 705-09-9) is a chemical compound with molecular formula C8H6F2N2 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethyl)-1H-benzimidazole
Also Known As: 2-Difluoromethyl-1H-benzoimidazole, 2-(difluoromethyl)-1H-benzo[d]imidazole, 2-(Difluoromethyl)-1H-benzimidazole, 2-(difluoromethyl)benzimidazole, 2-(difluoromethyl)-1H-1,3-benzodiazole
| Molecular Formula | C8H6F2N2 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04991 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 705-09-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(F)F |
| InChIKey | PURNIHSRWGYONZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(difluoromethyl)-1H-1,3-benzodiazole (CAS 705-09-9), with molecular formula C8H6F2N2 and molecular weight 168.05 g/mol. IUPAC: 2-(difluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 2-(difluoromethyl)-1H-1,3-benzodiazole
Property Insights of 2-(difluoromethyl)-1H-1,3-benzodiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(difluoromethyl)-1H-1,3-benzodiazole. With a topological polar surface area (TPSA) of 28.7 Ų, 2-(difluoromethyl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(difluoromethyl)-1H-1,3-benzodiazole has 1 hydrogen bond donor(s) and 3 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-(difluoromethyl)-1H-1,3-benzodiazole?
The CAS number of 2-(difluoromethyl)-1H-1,3-benzodiazole is 705-09-9.
What is the molecular formula of 2-(difluoromethyl)-1H-1,3-benzodiazole?
The molecular formula of 2-(difluoromethyl)-1H-1,3-benzodiazole is C8H6F2N2.
What is the molecular weight of 2-(difluoromethyl)-1H-1,3-benzodiazole?
The molecular weight of 2-(difluoromethyl)-1H-1,3-benzodiazole is 168.05 g/mol.
Where can I buy 2-(difluoromethyl)-1H-1,3-benzodiazole?
You can request a quote for 2-(difluoromethyl)-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-(difluoromethyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(difluoromethyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.