1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-
TL;DR: 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- (CAS 67267-48-5) is a chemical compound with molecular formula C12H10F3N3 and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
Also Known As: 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-, 2-(Butylamino)-3,5,6-trifluoro-1,4-benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile, BRN 2870138, RefChem:220000
| Molecular Formula | C12H10F3N3 |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 3.05926 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.08269 |
| Heavy Atoms | 18 |
| Complexity | 541.2144 |
Chemical Identifiers
| CAS Number | 67267-48-5 |
|---|---|
| SMILES | CCCCNC1=C(C(=C(C(=C1F)C#N)F)F)C#N |
Product Overview
1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- (CAS 67267-48-5), with molecular formula C12H10F3N3 and molecular weight 253.08 g/mol. IUPAC: 2-(butylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile.
Chemical Property Profile of 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-
Property Insights of 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-
The XLogP value of 3.05926 indicates that 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- has 1 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 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-?
The CAS number of 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- is 67267-48-5.
What is the molecular formula of 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-?
The molecular formula of 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- is C12H10F3N3.
What is the molecular weight of 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-?
The molecular weight of 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- is 253.08 g/mol.
Where can I buy 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro-?
You can request a quote for 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-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, 2-(butylamino)-3,5,6-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarbonitrile, 2-(butylamino)-3,5,6-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.