6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate (CAS 868679-77-0) is a chemical compound with molecular formula C13H9BrN2O5 and molecular weight 351.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-bromobenzoate
Also Known As: 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate, AB00676239-01, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-bromobenzoate, F1826-0058
| Molecular Formula | C13H9BrN2O5 |
|---|---|
| Molecular Weight | 351.97 g/mol |
| LogP | 2.57322 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.96948 |
| Heavy Atoms | 21 |
| Complexity | 784.37134 |
Chemical Identifiers
| CAS Number | 868679-77-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)Br |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate (CAS 868679-77-0), with molecular formula C13H9BrN2O5 and molecular weight 351.97 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-bromobenzoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate
The XLogP value of 2.57322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate 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 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate is 868679-77-0.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate is C13H9BrN2O5.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate is 351.97 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.