2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile
TL;DR: 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile (CAS 341966-97-0) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-anilino-1-methoxyprop-2-enylidene)propanedinitrile
Also Known As: 2-(3-anilino-1-methoxy-2-propenylidene)malononitrile, 2-(3-anilino-1-methoxyprop-2-enylidene)propanedinitrile
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.55986 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 487.7064 |
Chemical Identifiers
| CAS Number | 341966-97-0 |
|---|---|
| SMILES | COC(=C(C#N)C#N)C=CNC1=CC=CC=C1 |
Product Overview
2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile (CAS 341966-97-0), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: 2-(3-anilino-1-methoxyprop-2-enylidene)propanedinitrile.
Chemical Property Profile of 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile
Property Insights of 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile
The XLogP value of 2.55986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile. The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile 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 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile?
The CAS number of 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile is 341966-97-0.
What is the molecular formula of 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile?
The molecular formula of 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile is C13H11N3O.
What is the molecular weight of 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile?
The molecular weight of 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile is 225.09 g/mol.
Where can I buy 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile?
You can request a quote for 2-(3-Anilino-1-methoxyprop-2-enylidene)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-Anilino-1-methoxyprop-2-enylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Anilino-1-methoxyprop-2-enylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.