Benzene, (azidodifluoromethyl)-
TL;DR: Benzene, (azidodifluoromethyl)- (CAS 114467-89-9) is a chemical compound with molecular formula C7H5F2N3 and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[azido(difluoro)methyl]benzene
Also Known As: benzene, (azidodifluoromethyl)-, difluorobenzyl azide, [azido(difluoro)methyl]benzene, Ph-CF2-N3, (azido(difluoro)methyl)benzene
| Molecular Formula | C7H5F2N3 |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 14.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.04515 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 114467-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(N=[N+]=[N-])(F)F |
| InChIKey | VNFUAQVUHARBBN-UHFFFAOYSA-N |
Product Overview
Benzene, (azidodifluoromethyl)- (CAS 114467-89-9), with molecular formula C7H5F2N3 and molecular weight 169.05 g/mol. IUPAC: [azido(difluoro)methyl]benzene.
Chemical Property Profile of Benzene, (azidodifluoromethyl)-
Property Insights of Benzene, (azidodifluoromethyl)-
The XLogP value of 3.5 indicates that Benzene, (azidodifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 14.4 Ų, Benzene, (azidodifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (azidodifluoromethyl)- has 0 hydrogen bond donor(s) and 4 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 Benzene, (azidodifluoromethyl)-?
The CAS number of Benzene, (azidodifluoromethyl)- is 114467-89-9.
What is the molecular formula of Benzene, (azidodifluoromethyl)-?
The molecular formula of Benzene, (azidodifluoromethyl)- is C7H5F2N3.
What is the molecular weight of Benzene, (azidodifluoromethyl)-?
The molecular weight of Benzene, (azidodifluoromethyl)- is 169.05 g/mol.
Where can I buy Benzene, (azidodifluoromethyl)-?
You can request a quote for Benzene, (azidodifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (azidodifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (azidodifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.