Ebrotidine
TL;DR: Ebrotidine (CAS 100981-43-9) is a chemical compound with molecular formula C14H17BrN6O2S3 and molecular weight 475.97586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide
Also Known As: Ebrotidine, Ebrotidina, Ebrotidinum, Ebrotiding, ebrodin
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H17BrN6O2S3 |
| Molecular Weight | 475.97586 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.97586 Da |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)NC=NCCSCC2=CSC(=N2)N=C(N)N)Br |
| InChIKey | ZQHFZHPUZXNPMF-UHFFFAOYSA-N |
Chemical Property Profile of Ebrotidine
Property Insights of Ebrotidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ebrotidine. The TPSA of 198.0 Ų indicates high polarity, suggesting Ebrotidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ebrotidine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ebrotidine?
The CAS number of Ebrotidine is 100981-43-9.
What is the molecular formula of Ebrotidine?
The molecular formula of Ebrotidine is C14H17BrN6O2S3.
What is the molecular weight of Ebrotidine?
The molecular weight of Ebrotidine is 475.97586 g/mol.
Where can I buy Ebrotidine?
You can request a quote for Ebrotidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ebrotidine?
Yes, CoreyChem provides custom synthesis services for Ebrotidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.