1,4-Benzenedicarbonitrile, 2,5-difluoro-
TL;DR: 1,4-Benzenedicarbonitrile, 2,5-difluoro- (CAS 1897-49-0) is a chemical compound with molecular formula C8H2F2N2 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-difluorobenzene-1,4-dicarbonitrile
Also Known As: 2,5-Difluoroterephthalonitrile, 2,5-difluorobenzene-1,4-dicarbonitrile, 1,4-Benzenedicarbonitrile, 2,5-difluoro-, 2,5-Difluoro-1,4-benzenedicarbonitrile, 2,5-difluorotereph-thalonitrile
| Molecular Formula | C8H2F2N2 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.0186 |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 1897-49-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)C#N)F)C#N |
| InChIKey | XYFQWMPHYSQURI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenedicarbonitrile, 2,5-difluoro- (CAS 1897-49-0), with molecular formula C8H2F2N2 and molecular weight 164.02 g/mol. IUPAC: 2,5-difluorobenzene-1,4-dicarbonitrile.
Chemical Property Profile of 1,4-Benzenedicarbonitrile, 2,5-difluoro-
Property Insights of 1,4-Benzenedicarbonitrile, 2,5-difluoro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedicarbonitrile, 2,5-difluoro-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,4-Benzenedicarbonitrile, 2,5-difluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarbonitrile, 2,5-difluoro- 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 1,4-Benzenedicarbonitrile, 2,5-difluoro-?
The CAS number of 1,4-Benzenedicarbonitrile, 2,5-difluoro- is 1897-49-0.
What is the molecular formula of 1,4-Benzenedicarbonitrile, 2,5-difluoro-?
The molecular formula of 1,4-Benzenedicarbonitrile, 2,5-difluoro- is C8H2F2N2.
What is the molecular weight of 1,4-Benzenedicarbonitrile, 2,5-difluoro-?
The molecular weight of 1,4-Benzenedicarbonitrile, 2,5-difluoro- is 164.02 g/mol.
Where can I buy 1,4-Benzenedicarbonitrile, 2,5-difluoro-?
You can request a quote for 1,4-Benzenedicarbonitrile, 2,5-difluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarbonitrile, 2,5-difluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarbonitrile, 2,5-difluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.