3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
TL;DR: 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide (CAS 3959-37-3) is a chemical compound with molecular formula C13H12BrN3O3 and molecular weight 337.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
Also Known As: TimTec1_002528, 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide, 3-bromo-N-(2,6-dimethoxy-4-pyrimidinyl)benzamide, BAS 00918214, 3-Bromo-N-(2,6-dimethoxy-pyrimidin-4-yl)-benzamide
| Molecular Formula | C13H12BrN3O3 |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.0062 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 3959-37-3 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NC(=O)C2=CC(=CC=C2)Br)OC |
| InChIKey | FOFWQMUXAVEPQT-UHFFFAOYSA-N |
Product Overview
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide (CAS 3959-37-3), with molecular formula C13H12BrN3O3 and molecular weight 337.01 g/mol. IUPAC: 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide.
Chemical Property Profile of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
Property Insights of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide. Following Lipinski's Rule of Five, 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide 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 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The CAS number of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide is 3959-37-3.
What is the molecular formula of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The molecular formula of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide is C13H12BrN3O3.
What is the molecular weight of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The molecular weight of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide is 337.01 g/mol.
Where can I buy 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
You can request a quote for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.