RefChem:473420
TL;DR: RefChem:473420 (CAS 113836-92-3) is a chemical compound with molecular formula C24H36Br2N4O10S2 and molecular weight 762.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-[6-(2-bromo-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
Also Known As: DIBROMOHEXAMIDINE ISETHIONATE, 2-Hydroxyethanesulphonic acid, compound with 4,4'-(hexane-1,6-diylbis(oxy))bis(3-bromobenzenecarboxamidine) (2:1), Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,6-hexanediylbis(oxy))bis(3-bromobenzenecarboximidamide) (2:1), 2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[3-bromobenzenecarboxamidine] (2:1), 3-bromo-4-[6-(2-bromo-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide,2-hydroxyethanesulfonic acid
| Molecular Formula | C24H36Br2N4O10S2 |
|---|---|
| Molecular Weight | 762.02 g/mol |
| LogP | 2.53094 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 762.024 |
| Heavy Atoms | 42 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 113836-92-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)Br)OCCCCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O |
| InChIKey | LPAKTWBFZQIVQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:473420 (CAS 113836-92-3), with molecular formula C24H36Br2N4O10S2 and molecular weight 762.02 g/mol. IUPAC: 3-bromo-4-[6-(2-bromo-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid).
Chemical Property Profile of RefChem:473420
Property Insights of RefChem:473420
The XLogP value of 2.53094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:473420. The TPSA of 284.0 Ų indicates high polarity, suggesting RefChem:473420 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:473420 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:473420?
The CAS number of RefChem:473420 is 113836-92-3.
What is the molecular formula of RefChem:473420?
The molecular formula of RefChem:473420 is C24H36Br2N4O10S2.
What is the molecular weight of RefChem:473420?
The molecular weight of RefChem:473420 is 762.02 g/mol.
Where can I buy RefChem:473420?
You can request a quote for RefChem:473420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:473420?
Yes, KEHONG BIO provides custom synthesis services for RefChem:473420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.