![2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile structure](/static/products/1335/133550-05-7.webp)
2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile
TL;DR: 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile (CAS 133550-05-7) is a chemical compound with molecular formula C11H7FN2O and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluoro-4-methoxyphenyl)methylidene]propanedinitrile
Also Known As: Tyrphostin deriv. 6, 2-[(3-fluoro-4-methoxyphenyl)methylidene]propanedinitrile, (3-Fluoro-4-methoxybenzylidene)malononitrile, Propanedinitrile, 2-[(3-fluoro-4-methoxyphenyl)methylene]-, [(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile
| Molecular Formula | C11H7FN2O |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 2.26486 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.05424 |
| Heavy Atoms | 15 |
| Complexity | 464.34177 |
Chemical Identifiers
| CAS Number | 133550-05-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C#N)F |
Product Overview
2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile (CAS 133550-05-7), with molecular formula C11H7FN2O and molecular weight 202.05 g/mol. IUPAC: 2-[(3-fluoro-4-methoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile
Property Insights of 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile
The XLogP value of 2.26486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 56.81 Ų, 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile has 0 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-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile?
The CAS number of 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile is 133550-05-7.
What is the molecular formula of 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile is C11H7FN2O.
What is the molecular weight of 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile is 202.05 g/mol.
Where can I buy 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(3-Fluoro-4-methoxyphenyl)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-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Fluoro-4-methoxyphenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.