3,4-Methylenedioxybenzyl methyl ketoximine
TL;DR: 3,4-Methylenedioxybenzyl methyl ketoximine (CAS 52271-42-8) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 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)propan-2-ylidene]hydroxylamine
Also Known As: 3,4-Methylenedioxybenzyl methyl ketoximine, (3,4-methylenedioxyphenyl)acetone oxime, N-[1-(1,3-benzodioxol-5-yl)propan-2-ylidene]hydroxylamine
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 52271-42-8 |
|---|---|
| SMILES | CC(=NO)CC1=CC2=C(C=C1)OCO2 |
| InChIKey | OHIFAOJHDDQCEV-UHFFFAOYSA-N |
Product Overview
3,4-Methylenedioxybenzyl methyl ketoximine (CAS 52271-42-8), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)propan-2-ylidene]hydroxylamine.
Chemical Property Profile of 3,4-Methylenedioxybenzyl methyl ketoximine
Property Insights of 3,4-Methylenedioxybenzyl methyl ketoximine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Methylenedioxybenzyl methyl ketoximine. With a topological polar surface area (TPSA) of 51.1 Ų, 3,4-Methylenedioxybenzyl methyl ketoximine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Methylenedioxybenzyl methyl ketoximine 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 3,4-Methylenedioxybenzyl methyl ketoximine?
The CAS number of 3,4-Methylenedioxybenzyl methyl ketoximine is 52271-42-8.
What is the molecular formula of 3,4-Methylenedioxybenzyl methyl ketoximine?
The molecular formula of 3,4-Methylenedioxybenzyl methyl ketoximine is C10H11NO3.
What is the molecular weight of 3,4-Methylenedioxybenzyl methyl ketoximine?
The molecular weight of 3,4-Methylenedioxybenzyl methyl ketoximine is 193.07 g/mol.
Where can I buy 3,4-Methylenedioxybenzyl methyl ketoximine?
You can request a quote for 3,4-Methylenedioxybenzyl methyl ketoximine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Methylenedioxybenzyl methyl ketoximine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Methylenedioxybenzyl methyl ketoximine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.