4-fluoro-1H-1,3-benzodiazole
TL;DR: 4-fluoro-1H-1,3-benzodiazole (CAS 5847-89-2) is a chemical compound with molecular formula C7H5FN2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-1H-benzimidazole
Also Known As: 4-fluoro-1H-benzimidazole, 4-Fluoro-1H-benzo[d]imidazole, 4-FLUOROBENZIMIDAZOLE, 1H-Benzimidazole,7-fluoro-, 4-fluoro-1H-1,3-benzodiazole
| Molecular Formula | C7H5FN2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.04367 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 5847-89-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)F)N=CN2 |
| InChIKey | QUQMWOHZXVXIBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-fluoro-1H-1,3-benzodiazole (CAS 5847-89-2), with molecular formula C7H5FN2 and molecular weight 136.04 g/mol. IUPAC: 4-fluoro-1H-benzimidazole.
Chemical Property Profile of 4-fluoro-1H-1,3-benzodiazole
Property Insights of 4-fluoro-1H-1,3-benzodiazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-1H-1,3-benzodiazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4-fluoro-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluoro-1H-1,3-benzodiazole has 1 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 4-fluoro-1H-1,3-benzodiazole?
The CAS number of 4-fluoro-1H-1,3-benzodiazole is 5847-89-2.
What is the molecular formula of 4-fluoro-1H-1,3-benzodiazole?
The molecular formula of 4-fluoro-1H-1,3-benzodiazole is C7H5FN2.
What is the molecular weight of 4-fluoro-1H-1,3-benzodiazole?
The molecular weight of 4-fluoro-1H-1,3-benzodiazole is 136.04 g/mol.
Where can I buy 4-fluoro-1H-1,3-benzodiazole?
You can request a quote for 4-fluoro-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 4-fluoro-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.