5-Bromo-6-isothiocyanatoquinoxaline
TL;DR: 5-Bromo-6-isothiocyanatoquinoxaline (CAS 132356-31-1) is a chemical compound with molecular formula C9H4BrN3S and molecular weight 264.93094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-6-isothiocyanatoquinoxaline
Also Known As: 5-bromo-6-isothiocyanatoquinoxaline, Brimonidine Impurity 16, Brimonidine Impurity 22, 5-bromo-6-isothiocyanato-quinoxaline, Brimonidine Inhouse Impurity I
Technical Specifications
| Molecular Formula | C9H4BrN3S |
| Molecular Weight | 264.93094 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.93094 Da |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
| SMILES | C1=CC2=NC=CN=C2C(=C1N=C=S)Br |
| InChIKey | CRNMXQMOFAYYEX-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-6-isothiocyanatoquinoxaline
Property Insights of 5-Bromo-6-isothiocyanatoquinoxaline
The XLogP value of 3.3 indicates that 5-Bromo-6-isothiocyanatoquinoxaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-6-isothiocyanatoquinoxaline. Following Lipinski's Rule of Five, 5-Bromo-6-isothiocyanatoquinoxaline 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
What is the CAS number of 5-Bromo-6-isothiocyanatoquinoxaline?
The CAS number of 5-Bromo-6-isothiocyanatoquinoxaline is 132356-31-1.
What is the molecular formula of 5-Bromo-6-isothiocyanatoquinoxaline?
The molecular formula of 5-Bromo-6-isothiocyanatoquinoxaline is C9H4BrN3S.
What is the molecular weight of 5-Bromo-6-isothiocyanatoquinoxaline?
The molecular weight of 5-Bromo-6-isothiocyanatoquinoxaline is 264.93094 g/mol.
Where can I buy 5-Bromo-6-isothiocyanatoquinoxaline?
You can request a quote for 5-Bromo-6-isothiocyanatoquinoxaline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-6-isothiocyanatoquinoxaline?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-6-isothiocyanatoquinoxaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.