2-(乙氧基亚甲基)丙二腈
TL;DR: 2-(乙氧基亚甲基)丙二腈 (CAS 123-06-8) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(乙氧基亚甲基)丙二腈
2-(ethoxymethylidene)propanedinitrile
Also Known As: Ethoxymethylenemalononitrile, (Ethoxymethylene)malononitrile, 2-(Ethoxymethylene)malononitrile, Ethoxymethylene malononitrile, Propanedinitrile, (ethoxymethylene)-
| Molecular Formula | C6H6N2O |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.04801 |
| Heavy Atoms | 9 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 123-06-8 |
|---|---|
| SMILES | CCOC=C(C#N)C#N |
| InChIKey | OEICGMPRFOJHKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(乙氧基亚甲基)丙二腈 (CAS 123-06-8), with molecular formula C6H6N2O and molecular weight 122.05 g/mol. IUPAC: 2-(ethoxymethylidene)propanedinitrile.
Chemical Property Profile of 2-(乙氧基亚甲基)丙二腈
Property Insights of 2-(乙氧基亚甲基)丙二腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(乙氧基亚甲基)丙二腈. With a topological polar surface area (TPSA) of 56.8 Ų, 2-(乙氧基亚甲基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(乙氧基亚甲基)丙二腈 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 2-(乙氧基亚甲基)丙二腈?
The CAS number of 2-(乙氧基亚甲基)丙二腈 is 123-06-8.
What is the molecular formula of 2-(乙氧基亚甲基)丙二腈?
The molecular formula of 2-(乙氧基亚甲基)丙二腈 is C6H6N2O.
What is the molecular weight of 2-(乙氧基亚甲基)丙二腈?
The molecular weight of 2-(乙氧基亚甲基)丙二腈 is 122.05 g/mol.
Where can I buy 2-(乙氧基亚甲基)丙二腈?
You can request a quote for 2-(乙氧基亚甲基)丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(乙氧基亚甲基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(乙氧基亚甲基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.