(1-乙氧基亚乙基)丙二腈
TL;DR: (1-乙氧基亚乙基)丙二腈 (CAS 5417-82-3) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-乙氧基亚乙基)丙二腈
2-(1-ethoxyethylidene)propanedinitrile
Also Known As: (1-Ethoxyethylidene)malononitrile, 2-(1-Ethoxyethylidene)malononitrile, 2-(1-ethoxyethylidene)propanedinitrile, 1-Ethoxyethylidenemalononitrile, Propanedinitrile, (1-ethoxyethylidene)-
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 5417-82-3 |
|---|---|
| SMILES | CCOC(=C(C#N)C#N)C |
| InChIKey | BOSVWXDDFBSSIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-乙氧基亚乙基)丙二腈 (CAS 5417-82-3), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: 2-(1-ethoxyethylidene)propanedinitrile.
Chemical Property Profile of (1-乙氧基亚乙基)丙二腈
Property Insights of (1-乙氧基亚乙基)丙二腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-乙氧基亚乙基)丙二腈. With a topological polar surface area (TPSA) of 56.8 Ų, (1-乙氧基亚乙基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-乙氧基亚乙基)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 (1-乙氧基亚乙基)丙二腈?
The CAS number of (1-乙氧基亚乙基)丙二腈 is 5417-82-3.
What is the molecular formula of (1-乙氧基亚乙基)丙二腈?
The molecular formula of (1-乙氧基亚乙基)丙二腈 is C7H8N2O.
What is the molecular weight of (1-乙氧基亚乙基)丙二腈?
The molecular weight of (1-乙氧基亚乙基)丙二腈 is 136.06 g/mol.
Where can I buy (1-乙氧基亚乙基)丙二腈?
You can request a quote for (1-乙氧基亚乙基)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 (1-乙氧基亚乙基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (1-乙氧基亚乙基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.