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Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-
TL;DR: Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- (CAS 69244-84-4) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxyphenyl)butan-2-ylidene]propanedinitrile
Also Known As: J2.994.262E, Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-, 2-[4-(4-methoxyphenyl)butan-2-ylidene]propanedinitrile, [4-(4-Methoxyphenyl)butan-2-ylidene]propanedinitrile, 2-[3-(4-Methoxyphenyl)-1-methylpropylidene]malononitrile
| Molecular Formula | C14H14N2O |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.11061 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 69244-84-4 |
|---|---|
| SMILES | CC(=C(C#N)C#N)CCC1=CC=C(C=C1)OC |
| InChIKey | QRWQDXOEGCXSRR-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- (CAS 69244-84-4), with molecular formula C14H14N2O and molecular weight 226.11 g/mol. IUPAC: 2-[4-(4-methoxyphenyl)butan-2-ylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-
Property Insights of Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-
The XLogP value of 3.2 indicates that Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- 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 Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-?
The CAS number of Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- is 69244-84-4.
What is the molecular formula of Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-?
The molecular formula of Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- is C14H14N2O.
What is the molecular weight of Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-?
The molecular weight of Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- is 226.11 g/mol.
Where can I buy Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-?
You can request a quote for Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [3-(4-methoxyphenyl)-1-methylpropylidene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.