n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide
TL;DR: n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide (CAS 15297-43-5) is a chemical compound with molecular formula C10H10ClNO3 and molecular weight 227.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chloroethyl)-1,3-benzodioxole-5-carboxamide
Also Known As: NCIOpen2_006227, n-(2-chloroethyl)-1,3-benzodioxole-5-carboxamide, 1,3-Benzodioxole-5-carboxamide, N-(2-chloroethyl)-, N-(2-CHLOROETHYL)-3,5-DIMETHOXY-BENZAMIDE, N-(2-CHLOROETHYL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
Technical Specifications
| Molecular Formula | C10H10ClNO3 |
| Molecular Weight | 227.03493 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.03493 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NCCCl |
| InChIKey | RDXMUXJIVYZZMC-UHFFFAOYSA-N |
Chemical Property Profile of n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide
Property Insights of n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.6 Ų, n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Chloroethyl)-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-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide is 15297-43-5.
What is the molecular formula of n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide is C10H10ClNO3.
What is the molecular weight of n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide is 227.03493 g/mol.
Where can I buy n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for n-(2-Chloroethyl)-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-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for n-(2-Chloroethyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.