(Methoxymethylene)malononitrile
TL;DR: (Methoxymethylene)malononitrile (CAS 672-81-1) is a chemical compound with molecular formula C5H4N2O and molecular weight 108.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methoxymethylidene)propanedinitrile
Also Known As: (Methoxymethylene)malononitrile, 2-(methoxymethylidene)propanedinitrile, adrenaline o-quinone, methoxymethylenemalononitrile, 2-(methoxymethylene)malononitrile
| Molecular Formula | C5H4N2O |
|---|---|
| Molecular Weight | 108.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.032364 |
| Heavy Atoms | 8 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 672-81-1 |
|---|---|
| SMILES | COC=C(C#N)C#N |
| InChIKey | PPIRRJFTJMFMSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Methoxymethylene)malononitrile (CAS 672-81-1), with molecular formula C5H4N2O and molecular weight 108.03 g/mol. IUPAC: 2-(methoxymethylidene)propanedinitrile.
Chemical Property Profile of (Methoxymethylene)malononitrile
Property Insights of (Methoxymethylene)malononitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methoxymethylene)malononitrile. With a topological polar surface area (TPSA) of 56.8 Ų, (Methoxymethylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methoxymethylene)malononitrile 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 (Methoxymethylene)malononitrile?
The CAS number of (Methoxymethylene)malononitrile is 672-81-1.
What is the molecular formula of (Methoxymethylene)malononitrile?
The molecular formula of (Methoxymethylene)malononitrile is C5H4N2O.
What is the molecular weight of (Methoxymethylene)malononitrile?
The molecular weight of (Methoxymethylene)malononitrile is 108.03 g/mol.
Where can I buy (Methoxymethylene)malononitrile?
You can request a quote for (Methoxymethylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methoxymethylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (Methoxymethylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.