2-(Boc-oxyimino)-2-phenylacetonitrile
TL;DR: 2-(Boc-oxyimino)-2-phenylacetonitrile (CAS 58632-95-4) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl [[cyano(phenyl)methylidene]amino] carbonate
Also Known As: Boc-on, zlchem 237, 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile, 2-(Boc-oxyimino)-2-phenylacetonitrile, N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 58632-95-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC=C1 |
| InChIKey | QQWYQAQQADNEIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Boc-oxyimino)-2-phenylacetonitrile (CAS 58632-95-4), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: tert-butyl [[cyano(phenyl)methylidene]amino] carbonate.
Chemical Property Profile of 2-(Boc-oxyimino)-2-phenylacetonitrile
Property Insights of 2-(Boc-oxyimino)-2-phenylacetonitrile
The XLogP value of 3.3 indicates that 2-(Boc-oxyimino)-2-phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Boc-oxyimino)-2-phenylacetonitrile. Following Lipinski's Rule of Five, 2-(Boc-oxyimino)-2-phenylacetonitrile 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 2-(Boc-oxyimino)-2-phenylacetonitrile?
The CAS number of 2-(Boc-oxyimino)-2-phenylacetonitrile is 58632-95-4.
What is the molecular formula of 2-(Boc-oxyimino)-2-phenylacetonitrile?
The molecular formula of 2-(Boc-oxyimino)-2-phenylacetonitrile is C13H14N2O3.
What is the molecular weight of 2-(Boc-oxyimino)-2-phenylacetonitrile?
The molecular weight of 2-(Boc-oxyimino)-2-phenylacetonitrile is 246.10 g/mol.
Where can I buy 2-(Boc-oxyimino)-2-phenylacetonitrile?
You can request a quote for 2-(Boc-oxyimino)-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Boc-oxyimino)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Boc-oxyimino)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.