4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide
TL;DR: 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide (CAS 54696-87-6) is a chemical compound with molecular formula C5H7BrN2O2S and molecular weight 237.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide
Also Known As: 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide, 4-bromo-3,5-dimethyl-2H-1lambda6,2,6-thiadiazine-1,1-dione
| Molecular Formula | C5H7BrN2O2S |
|---|---|
| Molecular Weight | 237.94 g/mol |
| LogP | 0.9217 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.94116 |
| Heavy Atoms | 11 |
| Complexity | 341.49393 |
Chemical Identifiers
| CAS Number | 54696-87-6 |
|---|---|
| SMILES | CC1=C(C(=NS(=O)(=O)N1)C)Br |
Product Overview
4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide (CAS 54696-87-6), with molecular formula C5H7BrN2O2S and molecular weight 237.94 g/mol. IUPAC: 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide.
Chemical Property Profile of 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide
Property Insights of 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide
The XLogP value of 0.9217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide. With a topological polar surface area (TPSA) of 58.53 Ų, 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide has 1 hydrogen bond donor(s) and 2 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 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide?
The CAS number of 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide is 54696-87-6.
What is the molecular formula of 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide?
The molecular formula of 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide is C5H7BrN2O2S.
What is the molecular weight of 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide?
The molecular weight of 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide is 237.94 g/mol.
Where can I buy 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide?
You can request a quote for 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3,5-dimethyl-2H-1,2,6-thiadiazine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.