n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide
TL;DR: n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide (CAS 16386-35-9) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanamide
Also Known As: N-PIPERONYLACETOACETAMIDE, n-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-oxobutanamide, N-(2H-1,3-benzodioxol-5-ylmethyl)-3-oxobutanamide, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-oxobutanamide
Technical Specifications
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.08446 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CC(=O)CC(=O)NCC1=CC2=C(C=C1)OCO2 |
| InChIKey | WNOBCCBHRGNWFB-UHFFFAOYSA-N |
Chemical Property Profile of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide
Property Insights of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide. Following Lipinski's Rule of Five, n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide 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
What is the CAS number of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide?
The CAS number of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide is 16386-35-9.
What is the molecular formula of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide?
The molecular formula of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide is C12H13NO4.
What is the molecular weight of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide?
The molecular weight of n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide is 235.08446 g/mol.
Where can I buy n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide?
You can request a quote for n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide?
Yes, CoreyChem provides custom synthesis services for n-(1,3-Benzodioxol-5-ylmethyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.