1,3-Benzenedicarbonitrile, 4-fluoro-
TL;DR: 1,3-Benzenedicarbonitrile, 4-fluoro- (CAS 13319-90-9) is a chemical compound with molecular formula C8H3FN2 and molecular weight 146.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobenzene-1,3-dicarbonitrile
Also Known As: 4-Fluoroisophthalonitrile, 4-fluorobenzene-1,3-dicarbonitrile, 1,3-Benzenedicarbonitrile, 4-fluoro-, 4-Fluoro-1,3-benzenedicarbonitrile, Isophthalonitrile, 4-fluoro-
| Molecular Formula | C8H3FN2 |
|---|---|
| Molecular Weight | 146.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.02803 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 13319-90-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)C#N)F |
| InChIKey | FVEDLRVIWHFCBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedicarbonitrile, 4-fluoro- (CAS 13319-90-9), with molecular formula C8H3FN2 and molecular weight 146.03 g/mol. IUPAC: 4-fluorobenzene-1,3-dicarbonitrile.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-fluoro-
Property Insights of 1,3-Benzenedicarbonitrile, 4-fluoro-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarbonitrile, 4-fluoro-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,3-Benzenedicarbonitrile, 4-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-fluoro- has 0 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 1,3-Benzenedicarbonitrile, 4-fluoro-?
The CAS number of 1,3-Benzenedicarbonitrile, 4-fluoro- is 13319-90-9.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-fluoro-?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-fluoro- is C8H3FN2.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-fluoro-?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-fluoro- is 146.03 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-fluoro-?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarbonitrile, 4-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.