Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-
TL;DR: Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- (CAS 52718-96-4) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyprop-2-enylidene)propanedinitrile
Also Known As: 3-Methoxyallylidenemalonitrile, (3-Methoxyallylidene)malononitrile, 1,1-Dicyano-4-methoxy-1,3-butadiene, (3-Methoxy-2-propenylidene)propanedinitrile, Propanedinitrile, (3-methoxy-2-propenylidene)-
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 52718-96-4 |
|---|---|
| SMILES | COC=CC=C(C#N)C#N |
| InChIKey | MALUIHGUZRXIGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- (CAS 52718-96-4), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 2-(3-methoxyprop-2-enylidene)propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-
Property Insights of Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-. With a topological polar surface area (TPSA) of 56.8 Ų, Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- 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, 2-(3-methoxy-2-propen-1-ylidene)-?
The CAS number of Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- is 52718-96-4.
What is the molecular formula of Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-?
The molecular formula of Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- is C7H6N2O.
What is the molecular weight of Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-?
The molecular weight of Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- is 134.05 g/mol.
Where can I buy Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-?
You can request a quote for Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2-(3-methoxy-2-propen-1-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.