N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide (CAS 100479-57-0) 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-(cyanomethyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide, N-(cyanomethyl)benzo[1,3]dioxole-5-carboxamide, 1,3-Benzodioxole-5-carboxamide, N-(cyanomethyl)-, N-(CYANOMETHYL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
Technical Specifications
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.0535 g/mol |
| XLogP | 0.7 |
| 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)C(=O)NCC#N |
| InChIKey | LCNIFPFVPMYUOV-UHFFFAOYSA-N |
Chemical Property Profile of N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide 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-(cyanomethyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide is 100479-57-0.
What is the molecular formula of N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide is C10H8N2O3.
What is the molecular weight of N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide is 204.0535 g/mol.
Where can I buy N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(cyanomethyl)-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-(cyanomethyl)-1,3-benzodioxole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(cyanomethyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.