3-Ethoxy-2-propenenitrile
TL;DR: 3-Ethoxy-2-propenenitrile (CAS 61310-53-0) is a chemical compound with molecular formula C5H7NO and molecular weight 97.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxyprop-2-enenitrile
Also Known As: 3-Ethoxyacrylonitrile, 3-ethoxyprop-2-enenitrile, 2-Propenenitrile, 3-ethoxy-, beta-Ethoxyacrylonitrile, 3-Ethoxypropenenitrile
| Molecular Formula | C5H7NO |
|---|---|
| Molecular Weight | 97.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.052765 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 61310-53-0 |
|---|---|
| SMILES | CCOC=CC#N |
| InChIKey | HUPVIAINOSTNBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxy-2-propenenitrile (CAS 61310-53-0), with molecular formula C5H7NO and molecular weight 97.05 g/mol. IUPAC: 3-ethoxyprop-2-enenitrile.
Chemical Property Profile of 3-Ethoxy-2-propenenitrile
Property Insights of 3-Ethoxy-2-propenenitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-2-propenenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-Ethoxy-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-2-propenenitrile 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 3-Ethoxy-2-propenenitrile?
The CAS number of 3-Ethoxy-2-propenenitrile is 61310-53-0.
What is the molecular formula of 3-Ethoxy-2-propenenitrile?
The molecular formula of 3-Ethoxy-2-propenenitrile is C5H7NO.
What is the molecular weight of 3-Ethoxy-2-propenenitrile?
The molecular weight of 3-Ethoxy-2-propenenitrile is 97.05 g/mol.
Where can I buy 3-Ethoxy-2-propenenitrile?
You can request a quote for 3-Ethoxy-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.