propan-2-one O-acetyl oxime
TL;DR: propan-2-one O-acetyl oxime (CAS 18312-45-3) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(propan-2-ylideneamino) acetate
Also Known As: propan-2-one O-acetyl oxime, 2-[(Acetyloxy)imino]propane, O-acetylacetone oxime, Acetone O-acetyl oxime, propan-2-oneO-acetyloxime
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.9453 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 113.59708 |
Chemical Identifiers
| CAS Number | 18312-45-3 |
|---|---|
| SMILES | CC(=NOC(=O)C)C |
Product Overview
propan-2-one O-acetyl oxime (CAS 18312-45-3), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: (propan-2-ylideneamino) acetate.
Chemical Property Profile of propan-2-one O-acetyl oxime
Property Insights of propan-2-one O-acetyl oxime
The XLogP value of 0.9453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-one O-acetyl oxime. With a topological polar surface area (TPSA) of 38.66 Ų, propan-2-one O-acetyl oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propan-2-one O-acetyl oxime has 0 hydrogen bond donor(s) and 3 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 propan-2-one O-acetyl oxime?
The CAS number of propan-2-one O-acetyl oxime is 18312-45-3.
What is the molecular formula of propan-2-one O-acetyl oxime?
The molecular formula of propan-2-one O-acetyl oxime is C5H9NO2.
What is the molecular weight of propan-2-one O-acetyl oxime?
The molecular weight of propan-2-one O-acetyl oxime is 115.06 g/mol.
Where can I buy propan-2-one O-acetyl oxime?
You can request a quote for propan-2-one O-acetyl oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-one O-acetyl oxime?
Yes, KEHONG BIO provides custom synthesis services for propan-2-one O-acetyl oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.