6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin
TL;DR: 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin (CAS 128171-57-3) is a chemical compound with molecular formula C16H8BrCl2NO3 and molecular weight 410.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
Also Known As: 6-BROMO-3-(2,5-DICHLOROPHENYLCARBAMOYL)-COUMARIN, 6-Bromo-N-(2,5-dichlorophenyl)-2-oxo-2H-chromene-3-carboxamide, 6-bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide, TERT-BUTYL 2-METHYLPIPERIDIN-4-YLCARBAMATE, 6-bromo-N-(2,5-dichlorophenyl)-2-oxo-chromene-3-carboxamide
| Molecular Formula | C16H8BrCl2NO3 |
|---|---|
| Molecular Weight | 410.91 g/mol |
| LogP | 5.1146 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.90646 |
| Heavy Atoms | 23 |
| Complexity | 984.71155 |
Chemical Identifiers
| CAS Number | 128171-57-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)Cl |
Product Overview
6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin (CAS 128171-57-3), with molecular formula C16H8BrCl2NO3 and molecular weight 410.91 g/mol. IUPAC: 6-bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin
Property Insights of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin
The XLogP value of 5.1146 indicates that 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin?
The CAS number of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin is 128171-57-3.
What is the molecular formula of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin?
The molecular formula of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin is C16H8BrCl2NO3.
What is the molecular weight of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin?
The molecular weight of 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin is 410.91 g/mol.
Where can I buy 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin?
You can request a quote for 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-(2,5-dichlorophenylcarbamoyl)-coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.