N-methyl-1,3-benzodioxole-5-carboxamide
TL;DR: N-methyl-1,3-benzodioxole-5-carboxamide (CAS 15777-84-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-1,3-benzodioxole-5-carboxamide
Also Known As: N-methyl-1,3-benzodioxole-5-carboxamide, N-Methylbenzo[d][1,3]dioxole-5-carboxamide, N-methyl-2H-1,3-benzodioxole-5-carboxamide, N-Methyl-3,4-(epoxymethanoxy)benzamide, 1,3-benzodioxole-N-methyl-5-carboxamide
Technical Specifications
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.05824 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 Da |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
| SMILES | CNC(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | KCEACMLUCCJQHM-UHFFFAOYSA-N |
Chemical Property Profile of N-methyl-1,3-benzodioxole-5-carboxamide
Property Insights of N-methyl-1,3-benzodioxole-5-carboxamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-methyl-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-1,3-benzodioxole-5-carboxamide 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
What is the CAS number of N-methyl-1,3-benzodioxole-5-carboxamide?
The CAS number of N-methyl-1,3-benzodioxole-5-carboxamide is 15777-84-1.
What is the molecular formula of N-methyl-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-methyl-1,3-benzodioxole-5-carboxamide is C9H9NO3.
What is the molecular weight of N-methyl-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-methyl-1,3-benzodioxole-5-carboxamide is 179.05824 g/mol.
Where can I buy N-methyl-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-methyl-1,3-benzodioxole-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methyl-1,3-benzodioxole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-methyl-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.