N-(1,3-benzodioxol-5-yl)-2-methylpropanamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-methylpropanamide (CAS 445463-47-8) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-methylpropanamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-methylpropanamide, N-1,3-Benzodioxol-5-yl-2-methylpropanamide, N-(2H-1,3-benzodioxol-5-yl)-2-methylpropanamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-methylpropanamide
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 2.0098 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 387.41946 |
Chemical Identifiers
| CAS Number | 445463-47-8 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-methylpropanamide (CAS 445463-47-8), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-methylpropanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-methylpropanamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-methylpropanamide
The XLogP value of 2.0098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-2-methylpropanamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(1,3-benzodioxol-5-yl)-2-methylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-methylpropanamide has 1 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 N-(1,3-benzodioxol-5-yl)-2-methylpropanamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-methylpropanamide is 445463-47-8.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-methylpropanamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-methylpropanamide is C11H13NO3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-methylpropanamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-methylpropanamide is 207.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-methylpropanamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.