![Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) structure](/static/products/3081/308101-47-5.webp)
Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI)
TL;DR: Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) (CAS 308101-47-5) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxyanilino)methylidene]propanedinitrile
Also Known As: 2-[(4-ethoxyanilino)methylidene]propanedinitrile, 2-{[(4-ethoxyphenyl)amino]methylidene}propanedinitrile, Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]- (9CI), 2-((4-ETHOXYANILINO)METHYLENE)MALONONITRILE, {[(4-ethoxyphenyl)amino]methylene}methane-1,1-dicarbonitrile
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 2.42826 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 432.6376 |
Chemical Identifiers
| CAS Number | 308101-47-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC=C(C#N)C#N |
Product Overview
Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) (CAS 308101-47-5), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: 2-[(4-ethoxyanilino)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI)
Property Insights of Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI)
The XLogP value of 2.42826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI). The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI). Following Lipinski's Rule of Five, Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) has 1 hydrogen bond donor(s) and 4 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, [[(4-ethoxyphenyl)amino]methylene]-(9CI)?
The CAS number of Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) is 308101-47-5.
What is the molecular formula of Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI)?
The molecular formula of Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) is C12H11N3O.
What is the molecular weight of Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI)?
The molecular weight of Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) is 213.09 g/mol.
Where can I buy Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI)?
You can request a quote for Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [[(4-ethoxyphenyl)amino]methylene]-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.