6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide
TL;DR: 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide (CAS 40141-79-5) is a chemical compound with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-N-methyl-N-phenyl-1,3-benzodioxole-5-carboxamide
Also Known As: 6-bromo-N-methyl-N-phenyl-1,3-benzodioxole-5-carboxamide, 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C15H12BrNO3 |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.00006 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 40141-79-5 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2Br)OCO3 |
| InChIKey | OGUGYEXUYRBYSE-UHFFFAOYSA-N |
Product Overview
6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide (CAS 40141-79-5), with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol. IUPAC: 6-bromo-N-methyl-N-phenyl-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide
Property Insights of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.4 indicates that 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide?
The CAS number of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide is 40141-79-5.
What is the molecular formula of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide?
The molecular formula of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide is C15H12BrNO3.
What is the molecular weight of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide?
The molecular weight of 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide is 333.00 g/mol.
Where can I buy 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide?
You can request a quote for 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-N-methyl-N-phenyl-2H-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.