(E)-2-methoxy-4-phenylbut-3-enenitrile
TL;DR: (E)-2-methoxy-4-phenylbut-3-enenitrile (CAS 114701-66-5) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-methoxy-4-phenylbut-3-enenitrile
Also Known As: 2-Methoxy-4-phenyl-3-butenenitrile, 2-methoxy-4-phenylbut-3-enenitrile, (E)-(2)-methoxy-4-phenyl-3-butenenitrile, (E)-2-Methoxy-4-phenyl-3-butenenitrile, (E)-2-methoxy-4-phenylbut-3-enenitrile
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.23838 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 310.6122 |
Chemical Identifiers
| CAS Number | 114701-66-5 |
|---|---|
| SMILES | COC(/C=C/C1=CC=CC=C1)C#N |
Product Overview
(E)-2-methoxy-4-phenylbut-3-enenitrile (CAS 114701-66-5), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: (E)-2-methoxy-4-phenylbut-3-enenitrile.
Chemical Property Profile of (E)-2-methoxy-4-phenylbut-3-enenitrile
Property Insights of (E)-2-methoxy-4-phenylbut-3-enenitrile
The XLogP value of 2.23838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-methoxy-4-phenylbut-3-enenitrile. With a topological polar surface area (TPSA) of 33.02 Ų, (E)-2-methoxy-4-phenylbut-3-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-methoxy-4-phenylbut-3-enenitrile 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 (E)-2-methoxy-4-phenylbut-3-enenitrile?
The CAS number of (E)-2-methoxy-4-phenylbut-3-enenitrile is 114701-66-5.
What is the molecular formula of (E)-2-methoxy-4-phenylbut-3-enenitrile?
The molecular formula of (E)-2-methoxy-4-phenylbut-3-enenitrile is C11H11NO.
What is the molecular weight of (E)-2-methoxy-4-phenylbut-3-enenitrile?
The molecular weight of (E)-2-methoxy-4-phenylbut-3-enenitrile is 173.08 g/mol.
Where can I buy (E)-2-methoxy-4-phenylbut-3-enenitrile?
You can request a quote for (E)-2-methoxy-4-phenylbut-3-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-methoxy-4-phenylbut-3-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methoxy-4-phenylbut-3-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.