![2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile structure](/static/products/1952/195243-31-3.webp)
2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile
TL;DR: 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile (CAS 195243-31-3) is a chemical compound with molecular formula C10H6FN3 and molecular weight 187.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoroanilino)methylidene]propanedinitrile
Also Known As: 2-{[(4-fluorophenyl)amino]methylidene}propanedinitrile, 2-[(4-fluoroanilino)methylene]malononitrile, 2-[(4-fluoroanilino)methylidene]propanedinitrile, 2-(4-Fluoroanilino)methylenemalononitrile, 2-[(4-fluoroanilino)methylene]propanedinitrile
| Molecular Formula | C10H6FN3 |
|---|---|
| Molecular Weight | 187.05 g/mol |
| LogP | 2.16866 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.05458 |
| Heavy Atoms | 14 |
| Complexity | 404.1657 |
Chemical Identifiers
| CAS Number | 195243-31-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=C(C#N)C#N)F |
Product Overview
2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile (CAS 195243-31-3), with molecular formula C10H6FN3 and molecular weight 187.05 g/mol. IUPAC: 2-[(4-fluoroanilino)methylidene]propanedinitrile.
Chemical Property Profile of 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile
Property Insights of 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile
The XLogP value of 2.16866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile 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 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile?
The CAS number of 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile is 195243-31-3.
What is the molecular formula of 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile?
The molecular formula of 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile is C10H6FN3.
What is the molecular weight of 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile?
The molecular weight of 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile is 187.05 g/mol.
Where can I buy 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile?
You can request a quote for 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Fluorophenyl)amino]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.