![Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- structure](/static/products/945/94593-79-0.png)
Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-
TL;DR: Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- (CAS 94593-79-0) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide
Also Known As: Oxabetrinil, Oxebetrinil, Concep II, (E)-oxabetrinil, Oxabetrinil [BSI:ISO]
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.30378 |
| Topological Polar Surface Area | 63.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 419.12692 |
Chemical Identifiers
| CAS Number | 94593-79-0 |
|---|---|
| SMILES | C1COC(O1)CO/N=C(/C#N)\C2=CC=CC=C2 |
Product Overview
Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- (CAS 94593-79-0), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: (E)-N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide.
Chemical Property Profile of Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-
Property Insights of Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-
The XLogP value of 1.30378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-. The TPSA of 63.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- has 0 hydrogen bond donor(s) and 5 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 Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-?
The CAS number of Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- is 94593-79-0.
What is the molecular formula of Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-?
The molecular formula of Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- is C12H12N2O3.
What is the molecular weight of Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-?
The molecular weight of Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- is 232.08 g/mol.
Where can I buy Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-?
You can request a quote for Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, alpha-[(1,3-dioxolan-2-ylmethoxy)imino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.