(2E)-2-乙基戊-2-烯腈
TL;DR: (2E)-2-乙基戊-2-烯腈 (CAS 22031-59-0) is a chemical compound with molecular formula C7H11N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-乙基戊-2-烯腈
2-ethylpent-2-enenitrile
Also Known As: 2-ethylpent-2-enenitrile, 2-PENTENENITRILE,2-ETHYL-, (2E)-
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 22031-59-0 |
|---|---|
| SMILES | CCC=C(CC)C#N |
| InChIKey | UHZMGSZPOTXNPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-2-乙基戊-2-烯腈 (CAS 22031-59-0), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: 2-ethylpent-2-enenitrile.
Chemical Property Profile of (2E)-2-乙基戊-2-烯腈
Property Insights of (2E)-2-乙基戊-2-烯腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-乙基戊-2-烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, (2E)-2-乙基戊-2-烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-乙基戊-2-烯腈 has 0 hydrogen bond donor(s) and 1 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 (2E)-2-乙基戊-2-烯腈?
The CAS number of (2E)-2-乙基戊-2-烯腈 is 22031-59-0.
What is the molecular formula of (2E)-2-乙基戊-2-烯腈?
The molecular formula of (2E)-2-乙基戊-2-烯腈 is C7H11N.
What is the molecular weight of (2E)-2-乙基戊-2-烯腈?
The molecular weight of (2E)-2-乙基戊-2-烯腈 is 109.09 g/mol.
Where can I buy (2E)-2-乙基戊-2-烯腈?
You can request a quote for (2E)-2-乙基戊-2-烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-乙基戊-2-烯腈?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-乙基戊-2-烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.