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Acetonitrile, [(3-phenyl-2-propenyl)oxy]-
TL;DR: Acetonitrile, [(3-phenyl-2-propenyl)oxy]- (CAS 68060-32-2) 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.
2-(3-phenylprop-2-enoxy)acetonitrile
Also Known As: cinnamyloxyacetonitrile, 2-cinnamyloxyacetonitrile, 2-(3-phenylprop-2-enoxy)acetonitrile, Acetonitrile, [(3-phenyl-2-propenyl)oxy]-, [(3-Phenylprop-2-en-1-yl)oxy]acetonitrile
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.23998 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 297.61636 |
Chemical Identifiers
| CAS Number | 68060-32-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCOCC#N |
Product Overview
Acetonitrile, [(3-phenyl-2-propenyl)oxy]- (CAS 68060-32-2), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 2-(3-phenylprop-2-enoxy)acetonitrile.
Chemical Property Profile of Acetonitrile, [(3-phenyl-2-propenyl)oxy]-
Property Insights of Acetonitrile, [(3-phenyl-2-propenyl)oxy]-
The XLogP value of 2.23998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, [(3-phenyl-2-propenyl)oxy]-. With a topological polar surface area (TPSA) of 33.02 Ų, Acetonitrile, [(3-phenyl-2-propenyl)oxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, [(3-phenyl-2-propenyl)oxy]- 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 Acetonitrile, [(3-phenyl-2-propenyl)oxy]-?
The CAS number of Acetonitrile, [(3-phenyl-2-propenyl)oxy]- is 68060-32-2.
What is the molecular formula of Acetonitrile, [(3-phenyl-2-propenyl)oxy]-?
The molecular formula of Acetonitrile, [(3-phenyl-2-propenyl)oxy]- is C11H11NO.
What is the molecular weight of Acetonitrile, [(3-phenyl-2-propenyl)oxy]-?
The molecular weight of Acetonitrile, [(3-phenyl-2-propenyl)oxy]- is 173.08 g/mol.
Where can I buy Acetonitrile, [(3-phenyl-2-propenyl)oxy]-?
You can request a quote for Acetonitrile, [(3-phenyl-2-propenyl)oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, [(3-phenyl-2-propenyl)oxy]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, [(3-phenyl-2-propenyl)oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.