N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide (CAS 15257-95-1) is a chemical compound with molecular formula C10H10BrNO3 and molecular weight 270.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide
Also Known As: 1,3-Benzodioxole-5-carboxamide, N-(2-bromoethyl)-, N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide, N-(2-bromoethyl)benzo[1,3]dioxole-5-carboxamide
Technical Specifications
| Molecular Formula | C10H10BrNO3 |
| Molecular Weight | 270.9844 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.9844 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NCCBr |
| InChIKey | PGNVVORVZXDOPS-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-bromoethyl)-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-bromoethyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide is 15257-95-1.
What is the molecular formula of N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide is C10H10BrNO3.
What is the molecular weight of N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide is 270.9844 g/mol.
Where can I buy N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(2-bromoethyl)-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-bromoethyl)-1,3-benzodioxole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(2-bromoethyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.