methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate
TL;DR: methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate (CAS 150711-92-5) is a chemical compound with molecular formula C18H12BrNO5 and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-[(2-oxochromene-3-carbonyl)amino]benzoate
Also Known As: IFLab1_005731, IFLab2_000173, IDI1_011134, IDI1_019199, methyl 5-bromo-2-(2-oxo-2H-chromene-3-amido)benzoate
| Molecular Formula | C18H12BrNO5 |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 3.5944 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.9899 |
| Heavy Atoms | 25 |
| Complexity | 1041.061 |
Chemical Identifiers
| CAS Number | 150711-92-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Br)NC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate (CAS 150711-92-5), with molecular formula C18H12BrNO5 and molecular weight 400.99 g/mol. IUPAC: methyl 5-bromo-2-[(2-oxochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate
Property Insights of methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate
The XLogP value of 3.5944 indicates that methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate has 1 hydrogen bond donor(s) and 5 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 methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate?
The CAS number of methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate is 150711-92-5.
What is the molecular formula of methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate?
The molecular formula of methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate is C18H12BrNO5.
What is the molecular weight of methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate?
The molecular weight of methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate is 400.99 g/mol.
Where can I buy methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate?
You can request a quote for methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-bromo-2-(2-oxo-2H-chromene-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.