Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime
TL;DR: Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime (CAS 62681-68-9) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,3-benzodioxol-5-yl)ethylidene]hydroxylamine
Also Known As: Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime, N-[1-(1,3-benzodioxol-5-yl)ethylidene]hydroxylamine, 1-Benzo[1,3]dioxol-5-yl-ethanone oxime, N-(1-benzo[1,3]dioxol-5-ylethylidene)hydroxylamine, N-[1-(2H-1,3-benzodioxol-5-yl)ethylidene]hydroxylamine
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.6135 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 359.8775 |
Chemical Identifiers
| CAS Number | 62681-68-9 |
|---|---|
| SMILES | CC(=NO)C1=CC2=C(C=C1)OCO2 |
Product Overview
Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime (CAS 62681-68-9), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)ethylidene]hydroxylamine.
Chemical Property Profile of Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime
Property Insights of Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime
The XLogP value of 1.6135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime. With a topological polar surface area (TPSA) of 51.05 Ų, Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime has 1 hydrogen bond donor(s) and 4 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 Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime?
The CAS number of Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime is 62681-68-9.
What is the molecular formula of Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime?
The molecular formula of Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime is C9H9NO3.
What is the molecular weight of Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime?
The molecular weight of Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime is 179.06 g/mol.
Where can I buy Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime?
You can request a quote for Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.