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Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-
TL;DR: Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- (CAS 20699-47-2) is a chemical compound with molecular formula C13H11N3 and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(N-methylanilino)prop-2-enylidene]propanedinitrile
Also Known As: Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-, 2-[3-(N-methylanilino)prop-2-enylidene]propanedinitrile, {3-[Methyl(phenyl)amino]prop-2-en-1-ylidene}propanedinitrile
| Molecular Formula | C13H11N3 |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.61006 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.09529 |
| Heavy Atoms | 16 |
| Complexity | 456.13943 |
Chemical Identifiers
| CAS Number | 20699-47-2 |
|---|---|
| SMILES | CN(C=CC=C(C#N)C#N)C1=CC=CC=C1 |
Product Overview
Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- (CAS 20699-47-2), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 2-[3-(N-methylanilino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-
Property Insights of Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-
The XLogP value of 2.61006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-. With a topological polar surface area (TPSA) of 50.82 Ų, Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- 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-(methylphenylamino)-2-propenylidene]-?
The CAS number of Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- is 20699-47-2.
What is the molecular formula of Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-?
The molecular formula of Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- is C13H11N3.
What is the molecular weight of Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-?
The molecular weight of Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- is 209.10 g/mol.
Where can I buy Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-?
You can request a quote for Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [3-(methylphenylamino)-2-propenylidene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.