N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide
TL;DR: N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide (CAS 74782-23-3) 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.
N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide
Also Known As: Oxabetrinil, Concep II, CGA 92194, N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide, N-((1,3-Dioxolan-2-yl)methoxy)benzimidoyl cyanide
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 74782-23-3 |
|---|---|
| SMILES | C1COC(O1)CON=C(C#N)C2=CC=CC=C2 |
| InChIKey | WFVUIONFJOAYPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide (CAS 74782-23-3), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide.
Chemical Property Profile of N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide
Property Insights of N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide. Following Lipinski's Rule of Five, N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide 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 N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide?
The CAS number of N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide is 74782-23-3.
What is the molecular formula of N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide?
The molecular formula of N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide is C12H12N2O3.
What is the molecular weight of N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide?
The molecular weight of N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide is 232.08 g/mol.
Where can I buy N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide?
You can request a quote for N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.