3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone
TL;DR: 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone (CAS 100595-11-7) 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-bromo-6,7-dimethoxy-1,5-dimethylquinoxalin-2-one
Also Known As: Br-Dmeq, 3-bromo-6,7-dimethoxy-1,5-dimethylquinoxalin-2-one, 3-Bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone, 3-BROMOMETHYL-6,7-DIMETHOXY-1-METHYL-2(H)-QUINOXALINONE, 3-Bromo-6,7-dimethoxy-1,5-dimethylquinoxalin-2(1H)-one
| Molecular Formula | C12H13BrN2O3 |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.01096 |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 100595-11-7 |
|---|---|
| SMILES | CC1=C2C(=CC(=C1OC)OC)N(C(=O)C(=N2)Br)C |
| InChIKey | LWIHCRZWSOBLBA-UHFFFAOYSA-N |
Product Overview
3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone (CAS 100595-11-7), with molecular formula C12H13BrN2O3 and molecular weight 312.01 g/mol. IUPAC: 3-bromo-6,7-dimethoxy-1,5-dimethylquinoxalin-2-one.
Chemical Property Profile of 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone
Property Insights of 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone. With a topological polar surface area (TPSA) of 51.1 Ų, 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-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(1H)-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(1H)-quinoxalinone?
The CAS number of 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone is 100595-11-7.
What is the molecular formula of 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone?
The molecular formula of 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone is C12H13BrN2O3.
What is the molecular weight of 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone?
The molecular weight of 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone is 312.01 g/mol.
Where can I buy 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone?
You can request a quote for 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-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(1H)-quinoxalinone?
Yes, KEHONG BIO provides custom synthesis services for 3-bromomethyl-6,7-dimethoxy-1-methyl-2(1H)-quinoxalinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.