2-乙酰氧基异琥珀二腈
TL;DR: 2-乙酰氧基异琥珀二腈 (CAS 7790-01-4) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰氧基异琥珀二腈
1,1-dicyanoethyl acetate
Also Known As: 1,1-Dicyanoethyl acetate, 2-Acetoxyisosuccinodinitrile, Methylacetoxymalonitrile, Methylacetoxymalononitrile, 1-Acetoxy-1,1-dicyanoethane
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 7790-01-4 |
|---|---|
| SMILES | CC(=O)OC(C)(C#N)C#N |
| InChIKey | OSNAAKXQIFQLNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰氧基异琥珀二腈 (CAS 7790-01-4), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 1,1-dicyanoethyl acetate.
Chemical Property Profile of 2-乙酰氧基异琥珀二腈
Property Insights of 2-乙酰氧基异琥珀二腈
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰氧基异琥珀二腈. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙酰氧基异琥珀二腈. Following Lipinski's Rule of Five, 2-乙酰氧基异琥珀二腈 has 0 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-乙酰氧基异琥珀二腈?
The CAS number of 2-乙酰氧基异琥珀二腈 is 7790-01-4.
What is the molecular formula of 2-乙酰氧基异琥珀二腈?
The molecular formula of 2-乙酰氧基异琥珀二腈 is C6H6N2O2.
What is the molecular weight of 2-乙酰氧基异琥珀二腈?
The molecular weight of 2-乙酰氧基异琥珀二腈 is 138.04 g/mol.
Where can I buy 2-乙酰氧基异琥珀二腈?
You can request a quote for 2-乙酰氧基异琥珀二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰氧基异琥珀二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰氧基异琥珀二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.