Isoprene acrylonitrile
TL;DR: Isoprene acrylonitrile (CAS 2944-57-2) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbuta-1,3-diene;prop-2-enenitrile
Also Known As: isoprene acrylonitrile, isoprene-acrylonitrile, Acrylonitrile, isoprene copolymer, isoprene; prop-2-enenitrile, (C5-H8.C3-H3-N)x-
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 2.44448 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 2944-57-2 |
|---|---|
| SMILES | CC(=C)C=C.C=CC#N |
| InChIKey | CFEMBVVZPUEPPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoprene acrylonitrile (CAS 2944-57-2), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 2-methylbuta-1,3-diene;prop-2-enenitrile.
Chemical Property Profile of Isoprene acrylonitrile
Property Insights of Isoprene acrylonitrile
The XLogP value of 2.44448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoprene acrylonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Isoprene acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoprene acrylonitrile 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 Isoprene acrylonitrile?
The CAS number of Isoprene acrylonitrile is 2944-57-2.
What is the molecular formula of Isoprene acrylonitrile?
The molecular formula of Isoprene acrylonitrile is C8H11N.
What is the molecular weight of Isoprene acrylonitrile?
The molecular weight of Isoprene acrylonitrile is 121.09 g/mol.
Where can I buy Isoprene acrylonitrile?
You can request a quote for Isoprene acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoprene acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for Isoprene acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.