![[1-(3-Methoxyphenyl)ethylidene]propanedinitrile structure](/static/products/866/86604-43-5.png)
[1-(3-Methoxyphenyl)ethylidene]propanedinitrile
TL;DR: [1-(3-Methoxyphenyl)ethylidene]propanedinitrile (CAS 86604-43-5) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile
Also Known As: [1-(3-methoxyphenyl)ethylidene]propanedinitrile|2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile|Diethyl (phthalimidomethyl)phosphonate|2-[1- -ETHYLIDENE]-MALONONITRILE|2-(1-(3-Methoxyphenyl)ethylidene)malononitrile|[1-(3-Methoxyphenyl)ethylidene]malononitrile|2-[1-(3-methoxyphenyl)ethylidene]-malononitrile|{1-[3-(Methyloxy)phenyl]ethylidene}propanedinitrile|Propanedinitrile, 2-[1-(3-methoxyphenyl)ethylidene]-|2-[1-(3-METHOXY-PHENYL)-ETHYLIDENE]-MALONONITRILE|KSTYFPHNAZISJF-UHFFFAOYSA-N
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 86604-43-5 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C1=CC(=CC=C1)OC |
| InChIKey | KSTYFPHNAZISJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1-(3-Methoxyphenyl)ethylidene]propanedinitrile (CAS 86604-43-5), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: 2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile.
Chemical Property Profile of [1-(3-Methoxyphenyl)ethylidene]propanedinitrile
Property Insights of [1-(3-Methoxyphenyl)ethylidene]propanedinitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(3-Methoxyphenyl)ethylidene]propanedinitrile. With a topological polar surface area (TPSA) of 56.8 Ų, [1-(3-Methoxyphenyl)ethylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(3-Methoxyphenyl)ethylidene]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 [1-(3-Methoxyphenyl)ethylidene]propanedinitrile?
The CAS number of [1-(3-Methoxyphenyl)ethylidene]propanedinitrile is 86604-43-5.
What is the molecular formula of [1-(3-Methoxyphenyl)ethylidene]propanedinitrile?
The molecular formula of [1-(3-Methoxyphenyl)ethylidene]propanedinitrile is C12H10N2O.
What is the molecular weight of [1-(3-Methoxyphenyl)ethylidene]propanedinitrile?
The molecular weight of [1-(3-Methoxyphenyl)ethylidene]propanedinitrile is 198.08 g/mol.
Where can I buy [1-(3-Methoxyphenyl)ethylidene]propanedinitrile?
You can request a quote for [1-(3-Methoxyphenyl)ethylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3-Methoxyphenyl)ethylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(3-Methoxyphenyl)ethylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.