4-三氟甲基亚苄基丙二腈
TL;DR: 4-三氟甲基亚苄基丙二腈 (CAS 5283-30-7) is a chemical compound with molecular formula C11H5F3N2 and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-三氟甲基亚苄基丙二腈
2-[[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
Also Known As: Maybridge1_007889, [4-(trifluoromethyl)benzylidene]propanedinitrile, 2-(4-TRIFLUOROBENZYLIDENE)-MALONONITRILE, (4-(trifluoromethyl)benzylidene)malononitrile, 2-(4-(trifluoromethyl)benzylidene)malononitrile
| Molecular Formula | C11H5F3N2 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.04048 |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 5283-30-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)C(F)(F)F |
| InChIKey | AJXQNQPMIUKVOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-三氟甲基亚苄基丙二腈 (CAS 5283-30-7), with molecular formula C11H5F3N2 and molecular weight 222.04 g/mol. IUPAC: 2-[[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of 4-三氟甲基亚苄基丙二腈
Property Insights of 4-三氟甲基亚苄基丙二腈
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-三氟甲基亚苄基丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 4-三氟甲基亚苄基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-三氟甲基亚苄基丙二腈 has 0 hydrogen bond donor(s) and 5 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 4-三氟甲基亚苄基丙二腈?
The CAS number of 4-三氟甲基亚苄基丙二腈 is 5283-30-7.
What is the molecular formula of 4-三氟甲基亚苄基丙二腈?
The molecular formula of 4-三氟甲基亚苄基丙二腈 is C11H5F3N2.
What is the molecular weight of 4-三氟甲基亚苄基丙二腈?
The molecular weight of 4-三氟甲基亚苄基丙二腈 is 222.04 g/mol.
Where can I buy 4-三氟甲基亚苄基丙二腈?
You can request a quote for 4-三氟甲基亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-三氟甲基亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 4-三氟甲基亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.