Dibromopropamidine isethionate
TL;DR: Dibromopropamidine isethionate (CAS 614-87-9) is a chemical compound with molecular formula C19H24Br2N4O6S and molecular weight 593.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
Also Known As: Brolene, Brulidine, Dibrompropamidine isetionate, Dibromopropamidine diisethionate, dibropropamidine isethionate
| Molecular Formula | C19H24Br2N4O6S |
|---|---|
| Molecular Weight | 593.98 g/mol |
| LogP | 2.49 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 595.97626 |
| Heavy Atoms | 32 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 614-87-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O |
| InChIKey | BZACJASHKPPTKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibromopropamidine isethionate (CAS 614-87-9), with molecular formula C19H24Br2N4O6S and molecular weight 593.98 g/mol. IUPAC: 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid.
Chemical Property Profile of Dibromopropamidine isethionate
Property Insights of Dibromopropamidine isethionate
The XLogP value of 2.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibromopropamidine isethionate. The TPSA of 201.0 Ų indicates high polarity, suggesting Dibromopropamidine isethionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dibromopropamidine isethionate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibromopropamidine isethionate?
The CAS number of Dibromopropamidine isethionate is 614-87-9.
What is the molecular formula of Dibromopropamidine isethionate?
The molecular formula of Dibromopropamidine isethionate is C19H24Br2N4O6S.
What is the molecular weight of Dibromopropamidine isethionate?
The molecular weight of Dibromopropamidine isethionate is 593.98 g/mol.
Where can I buy Dibromopropamidine isethionate?
You can request a quote for Dibromopropamidine isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromopropamidine isethionate?
Yes, KEHONG BIO provides custom synthesis services for Dibromopropamidine isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.