(2-Phenyl-1,3-dioxolan-2-yl)acetonitrile
TL;DR: (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile (CAS 5738-30-7) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenyl-1,3-dioxolan-2-yl)acetonitrile
Also Known As: 2-(2-phenyl-1,3-dioxolan-2-yl)acetonitrile, (2-phenyl-1,3-dioxolan-2-yl)acetonitrile, (2-phenyl-[1,3]dioxolan-2-yl)-acetonitrile, 2-(2-phenyl-1,3-dioxolan-2-yl)ethanenitrile
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.79988 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 336.0552 |
Chemical Identifiers
| CAS Number | 5738-30-7 |
|---|---|
| SMILES | C1COC(O1)(CC#N)C2=CC=CC=C2 |
Product Overview
(2-Phenyl-1,3-dioxolan-2-yl)acetonitrile (CAS 5738-30-7), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2-(2-phenyl-1,3-dioxolan-2-yl)acetonitrile.
Chemical Property Profile of (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile
Property Insights of (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile
The XLogP value of 1.79988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 3 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-Phenyl-1,3-dioxolan-2-yl)acetonitrile?
The CAS number of (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile is 5738-30-7.
What is the molecular formula of (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile?
The molecular formula of (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile is C11H11NO2.
What is the molecular weight of (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile?
The molecular weight of (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile is 189.08 g/mol.
Where can I buy (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile?
You can request a quote for (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Phenyl-1,3-dioxolan-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.