2-乙基丁二腈
TL;DR: 2-乙基丁二腈 (CAS 17611-82-4) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基丁二腈
2-ethylbutanedinitrile
Also Known As: Ethylsuccinonitrile, 2-ethylsuccinonitrile, 2-ethylbutanedinitrile, Butanedinitrile, ethyl-, ethylsuccinnitril
| Molecular Formula | C6H8N2 |
|---|---|
| Molecular Weight | 108.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.06875 |
| Heavy Atoms | 8 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 17611-82-4 |
|---|---|
| SMILES | CCC(CC#N)C#N |
| InChIKey | GDCJAPJJFZWILF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基丁二腈 (CAS 17611-82-4), with molecular formula C6H8N2 and molecular weight 108.07 g/mol. IUPAC: 2-ethylbutanedinitrile.
Chemical Property Profile of 2-乙基丁二腈
Property Insights of 2-乙基丁二腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基丁二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2-乙基丁二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基丁二腈 has 0 hydrogen bond donor(s) and 2 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-乙基丁二腈?
The CAS number of 2-乙基丁二腈 is 17611-82-4.
What is the molecular formula of 2-乙基丁二腈?
The molecular formula of 2-乙基丁二腈 is C6H8N2.
What is the molecular weight of 2-乙基丁二腈?
The molecular weight of 2-乙基丁二腈 is 108.07 g/mol.
Where can I buy 2-乙基丁二腈?
You can request a quote for 2-乙基丁二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基丁二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基丁二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.