3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone
TL;DR: 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone (CAS 100595-07-1) is a chemical compound with molecular formula C12H13BrN2O3 and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-6,7-dimethoxy-1-methylquinoxalin-2-one
Also Known As: Br-Dmeq, 3-BROMOMETHYL-6,7-DIMETHOXY-1-METHYL-2(H)-QUINOXALINONE, 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone, 2(1H)-Quinoxalinone,3-(bromomethyl)-6,7-dimethoxy-1-methyl-, 3-(bromomethyl)-6,7-dimethoxy-1-methylquinoxalin-2-one
| Molecular Formula | C12H13BrN2O3 |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 1.8456 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.01096 |
| Heavy Atoms | 18 |
| Complexity | 651.7931 |
Chemical Identifiers
| CAS Number | 100595-07-1 |
|---|---|
| SMILES | CN1C2=CC(=C(C=C2N=C(C1=O)CBr)OC)OC |
Product Overview
3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone (CAS 100595-07-1), with molecular formula C12H13BrN2O3 and molecular weight 312.01 g/mol. IUPAC: 3-(bromomethyl)-6,7-dimethoxy-1-methylquinoxalin-2-one.
Chemical Property Profile of 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone
Property Insights of 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone
The XLogP value of 1.8456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone. With a topological polar surface area (TPSA) of 53.35 Ų, 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone has 0 hydrogen bond donor(s) and 4 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-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone?
The CAS number of 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone is 100595-07-1.
What is the molecular formula of 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone?
The molecular formula of 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone is C12H13BrN2O3.
What is the molecular weight of 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone?
The molecular weight of 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone is 312.01 g/mol.
Where can I buy 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone?
You can request a quote for 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(H)-quinoxalinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.