Sulfabromomethazine
TL;DR: Sulfabromomethazine (CAS 116-45-0) is a chemical compound with molecular formula C12H13BrN4O2S and molecular weight 355.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Also Known As: Sulfabrom, SULFABROMOMETHAZINE, Bromosulfamethazine, 5-Bromosulfamethazine, Sulfabromomethazine sodium
| Molecular Formula | C12H13BrN4O2S |
|---|---|
| Molecular Weight | 355.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.99426 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 116-45-0 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C)Br |
| InChIKey | KWXCNODTHBHSIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfabromomethazine (CAS 116-45-0), with molecular formula C12H13BrN4O2S and molecular weight 355.99 g/mol. IUPAC: 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
Chemical Property Profile of Sulfabromomethazine
Property Insights of Sulfabromomethazine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfabromomethazine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfabromomethazine. Following Lipinski's Rule of Five, Sulfabromomethazine has 2 hydrogen bond donor(s) and 6 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 Sulfabromomethazine?
The CAS number of Sulfabromomethazine is 116-45-0.
What is the molecular formula of Sulfabromomethazine?
The molecular formula of Sulfabromomethazine is C12H13BrN4O2S.
What is the molecular weight of Sulfabromomethazine?
The molecular weight of Sulfabromomethazine is 355.99 g/mol.
Where can I buy Sulfabromomethazine?
You can request a quote for Sulfabromomethazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfabromomethazine?
Yes, KEHONG BIO provides custom synthesis services for Sulfabromomethazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.