1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro-
TL;DR: 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- (CAS 67205-68-9) is a chemical compound with molecular formula C14H14F3N3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trifluoro-6-(hexylamino)benzene-1,4-dicarbonitrile
Also Known As: 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro-, 2,3,5-trifluoro-6-(hexylamino)terephthalonitrile, 6-(Hexylamino)-2,3,5-trifluoro-1,4-benzenedicarbonitrile, 2,3,5-trifluoro-6-(hexylamino)benzene-1,4-dicarbonitrile, BRN 2879332
| Molecular Formula | C14H14F3N3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.11398 |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 67205-68-9 |
|---|---|
| SMILES | CCCCCCNC1=C(C(=C(C(=C1F)C#N)F)F)C#N |
| InChIKey | QETVGVDKHDGGEW-UHFFFAOYSA-N |
Product Overview
1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- (CAS 67205-68-9), with molecular formula C14H14F3N3 and molecular weight 281.11 g/mol. IUPAC: 2,3,5-trifluoro-6-(hexylamino)benzene-1,4-dicarbonitrile.
Chemical Property Profile of 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro-
Property Insights of 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro-
The XLogP value of 4.5 indicates that 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- has 1 hydrogen bond donor(s) and 6 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, 6-(hexylamino)-2,3,5-trifluoro-?
The CAS number of 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- is 67205-68-9.
What is the molecular formula of 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro-?
The molecular formula of 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- is C14H14F3N3.
What is the molecular weight of 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro-?
The molecular weight of 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- is 281.11 g/mol.
Where can I buy 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro-?
You can request a quote for 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- 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, 6-(hexylamino)-2,3,5-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarbonitrile, 6-(hexylamino)-2,3,5-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.