![2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile structure](/static/products/1176/117691-67-5.webp)
2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile
TL;DR: 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile (CAS 117691-67-5) is a chemical compound with molecular formula C11H6ClFN4 and molecular weight 248.0265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
Also Known As: Maybridge3_003410, 2-amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile, 2-amino-3-[(2-chloro-6-fluoro-phenyl)methyleneamino]but-2-enedinitrile, 2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile, (2Z)-2-amino-3-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]but-2-enedinitrile
Technical Specifications
| Molecular Formula | C11H6ClFN4 |
| Molecular Weight | 248.0265 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0265 Da |
| Heavy Atoms | 17 |
| Complexity | 439.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)C=NC(=C(C#N)N)C#N)F |
| InChIKey | HNIDQTXEILTQGU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile
Property Insights of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile. Following Lipinski's Rule of Five, 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile?
The CAS number of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile is 117691-67-5.
What is the molecular formula of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile?
The molecular formula of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile is C11H6ClFN4.
What is the molecular weight of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile?
The molecular weight of 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile is 248.0265 g/mol.
Where can I buy 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile?
You can request a quote for 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-3-{[(2-chloro-6-fluorophenyl)methylidene]amino}but-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.