![2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one structure](/static/products/7097/70979-95-2.webp)
2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one
TL;DR: 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one (CAS 70979-95-2) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl [(1-oxo-1-phenylpropan-2-ylidene)amino] carbonate
Also Known As: EINECS 275-082-6, 2-{[(methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one, 1-Phenyl-1,2-propanedione 2-[O-(methoxycarbonyl)oxime], 1,2-Propanedione,1-phenyl-, 2-[O-(methoxycarbonyl)oxime], O-(Methoxycarbonyl)-N-(1-methyl-2-oxo-2-phenylethylidene)hydroxylamine
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.0282 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 411.25256 |
Chemical Identifiers
| CAS Number | 70979-95-2 |
|---|---|
| SMILES | CC(=NOC(=O)OC)C(=O)C1=CC=CC=C1 |
Product Overview
2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one (CAS 70979-95-2), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: methyl [(1-oxo-1-phenylpropan-2-ylidene)amino] carbonate.
Chemical Property Profile of 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one
Property Insights of 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one
The XLogP value of 2.0282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one. Following Lipinski's Rule of Five, 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one 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-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one?
The CAS number of 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one is 70979-95-2.
What is the molecular formula of 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one?
The molecular formula of 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one is C11H11NO4.
What is the molecular weight of 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one?
The molecular weight of 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one is 221.07 g/mol.
Where can I buy 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one?
You can request a quote for 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Methoxycarbonyl)oxy]imino}-1-phenylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.