4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate
TL;DR: 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate (CAS 313555-72-5) is a chemical compound with molecular formula C16H10BrNO4 and molecular weight 358.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 5-bromopyridine-3-carboxylate
Also Known As: 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate, (4-methyl-2-oxochromen-7-yl) 5-bromopyridine-3-carboxylate, 4-methyl-2-oxo-2H-chromen-7-yl 5-bromopyridine-3-carboxylate
| Molecular Formula | C16H10BrNO4 |
|---|---|
| Molecular Weight | 358.98 g/mol |
| LogP | 3.47812 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.9793 |
| Heavy Atoms | 22 |
| Complexity | 932.82227 |
Chemical Identifiers
| CAS Number | 313555-72-5 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CN=C3)Br |
Product Overview
4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate (CAS 313555-72-5), with molecular formula C16H10BrNO4 and molecular weight 358.98 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate
Property Insights of 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate
The XLogP value of 3.47812 indicates that 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate has 0 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 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate?
The CAS number of 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate is 313555-72-5.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate is C16H10BrNO4.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate is 358.98 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-7-yl 5-bromonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.