N-1,3-Benzodioxol-5-yl-2-cyanoacetamide
TL;DR: N-1,3-Benzodioxol-5-yl-2-cyanoacetamide (CAS 142555-09-7) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-yl)-2-cyanoacetamide
Also Known As: N-1,3-benzodioxol-5-yl-2-cyanoacetamide, N-(1,3-benzodioxol-5-yl)-2-cyanoacetamide, N-(Benzo[d][1,3]dioxol-5-yl)-2-cyanoacetamide, N-(2H-1,3-benzodioxol-5-yl)-2-cyanoacetamide, Acetamide, N-1,3-benzodioxol-5-yl-2-cyano-
Technical Specifications
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.0535 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0535 Da |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CC#N |
| InChIKey | IPGDELMADGDOMC-UHFFFAOYSA-N |
Chemical Property Profile of N-1,3-Benzodioxol-5-yl-2-cyanoacetamide
Property Insights of N-1,3-Benzodioxol-5-yl-2-cyanoacetamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3-Benzodioxol-5-yl-2-cyanoacetamide. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-Benzodioxol-5-yl-2-cyanoacetamide. Following Lipinski's Rule of Five, N-1,3-Benzodioxol-5-yl-2-cyanoacetamide 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-yl-2-cyanoacetamide?
The CAS number of N-1,3-Benzodioxol-5-yl-2-cyanoacetamide is 142555-09-7.
What is the molecular formula of N-1,3-Benzodioxol-5-yl-2-cyanoacetamide?
The molecular formula of N-1,3-Benzodioxol-5-yl-2-cyanoacetamide is C10H8N2O3.
What is the molecular weight of N-1,3-Benzodioxol-5-yl-2-cyanoacetamide?
The molecular weight of N-1,3-Benzodioxol-5-yl-2-cyanoacetamide is 204.0535 g/mol.
Where can I buy N-1,3-Benzodioxol-5-yl-2-cyanoacetamide?
You can request a quote for N-1,3-Benzodioxol-5-yl-2-cyanoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-1,3-Benzodioxol-5-yl-2-cyanoacetamide?
Yes, CoreyChem provides custom synthesis services for N-1,3-Benzodioxol-5-yl-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.