2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile
TL;DR: 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile (CAS 59577-32-1) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonate
Also Known As: Cyclononyl-amin, MOZ-ON, 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile, [[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonate, 2-(4-methoxybenzyl)oxycarbonyloxyimino-2-phenylacetonitrile
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 3.27628 |
| Topological Polar Surface Area | 80.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 718.5086 |
Chemical Identifiers
| CAS Number | 59577-32-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)COC(=O)ON=C(C#N)C2=CC=CC=C2 |
Product Overview
2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile (CAS 59577-32-1), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: [[cyano(phenyl)methylidene]amino] (4-methoxyphenyl)methyl carbonate.
Chemical Property Profile of 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile
Property Insights of 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile
The XLogP value of 3.27628 indicates that 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile. Following Lipinski's Rule of Five, 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile has 0 hydrogen bond donor(s) and 6 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-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile?
The CAS number of 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile is 59577-32-1.
What is the molecular formula of 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile?
The molecular formula of 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile is C17H14N2O4.
What is the molecular weight of 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile?
The molecular weight of 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile is 310.10 g/mol.
Where can I buy 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile?
You can request a quote for 2-(4-Methoxybenzyloxycarbonyloxyimino)-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-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxybenzyloxycarbonyloxyimino)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.