2-Propenenitrile, 3-ethoxy-
TL;DR: 2-Propenenitrile, 3-ethoxy- (CAS 60036-64-8) 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.
(Z)-3-ethoxyprop-2-enenitrile
Also Known As: 3-Ethoxyacrylonitrile, beta-Ethoxyacrylonitrile, cis-3-ethoxy-acrylonitrile, (Z)-3-ethoxyacrylonitrile, 2-Propenenitrile, 3-ethoxy-
| Molecular Formula | C5H7NO |
|---|---|
| Molecular Weight | 97.05 g/mol |
| LogP | 1.06018 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.052765 |
| Heavy Atoms | 7 |
| Complexity | 90.7435 |
Chemical Identifiers
| CAS Number | 60036-64-8 |
|---|---|
| SMILES | CCO/C=C\C#N |
Product Overview
2-Propenenitrile, 3-ethoxy- (CAS 60036-64-8), with molecular formula C5H7NO and molecular weight 97.05 g/mol. IUPAC: (Z)-3-ethoxyprop-2-enenitrile.
Chemical Property Profile of 2-Propenenitrile, 3-ethoxy-
Property Insights of 2-Propenenitrile, 3-ethoxy-
The XLogP value of 1.06018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 3-ethoxy-. With a topological polar surface area (TPSA) of 33.02 Ų, 2-Propenenitrile, 3-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 3-ethoxy- 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-Propenenitrile, 3-ethoxy-?
The CAS number of 2-Propenenitrile, 3-ethoxy- is 60036-64-8.
What is the molecular formula of 2-Propenenitrile, 3-ethoxy-?
The molecular formula of 2-Propenenitrile, 3-ethoxy- is C5H7NO.
What is the molecular weight of 2-Propenenitrile, 3-ethoxy-?
The molecular weight of 2-Propenenitrile, 3-ethoxy- is 97.05 g/mol.
Where can I buy 2-Propenenitrile, 3-ethoxy-?
You can request a quote for 2-Propenenitrile, 3-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenenitrile, 3-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenenitrile, 3-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.