2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile
TL;DR: 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile (CAS 74651-77-7) 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 [(Z)-[cyano(phenyl)methylidene]amino] carbonate
Also Known As: Boc-on, 2-(Boc-oxyimino)-2-phenylacetonitrile, 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile, N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide, 2- -2-phenylacetonitrile
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.86598 |
| Topological Polar Surface Area | 71.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 481.1981 |
Chemical Identifiers
| CAS Number | 74651-77-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)O/N=C(\C#N)/C1=CC=CC=C1 |
Product Overview
2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile (CAS 74651-77-7), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: tert-butyl [(Z)-[cyano(phenyl)methylidene]amino] carbonate.
Chemical Property Profile of 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile
Property Insights of 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile
The XLogP value of 2.86598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile. The TPSA of 71.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile. Following Lipinski's Rule of Five, 2-(tert-Butoxycarbonyloximino)-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-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile?
The CAS number of 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile is 74651-77-7.
What is the molecular formula of 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile?
The molecular formula of 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile is C13H14N2O3.
What is the molecular weight of 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile?
The molecular weight of 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile is 246.10 g/mol.
Where can I buy 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile?
You can request a quote for 2-(tert-Butoxycarbonyloximino)-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-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.