Isometamidium bromide
TL;DR: Isometamidium bromide (CAS 4174-69-0) is a chemical compound with molecular formula C28H27Br2N7 and molecular weight 619.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Isometamidium bromide
3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;bromide;hydrobromide
Also Known As: Isometamidium bromide, Isometamidium Bromide Hydrobromide, M & B 4180, MSK8065-100M, 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;bromide;hydrobromide
| Molecular Formula | C28H27Br2N7 |
|---|---|
| Molecular Weight | 619.07 g/mol |
| LogP | 3.52637 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 619.06946 |
| Heavy Atoms | 37 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 4174-69-0 |
|---|---|
| SMILES | CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N.Br.[Br-] |
| InChIKey | ZLKRCDXAXRAULJ-UHFFFAOYSA-N |
Product Overview
Isometamidium bromide (CAS 4174-69-0), with molecular formula C28H27Br2N7 and molecular weight 619.07 g/mol. IUPAC: 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;bromide;hydrobromide.
Chemical Property Profile of Isometamidium bromide
Property Insights of Isometamidium bromide
The XLogP value of 3.52637 indicates that Isometamidium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isometamidium bromide. Following Lipinski's Rule of Five, Isometamidium bromide has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isometamidium bromide?
The CAS number of Isometamidium bromide is 4174-69-0.
What is the molecular formula of Isometamidium bromide?
The molecular formula of Isometamidium bromide is C28H27Br2N7.
What is the molecular weight of Isometamidium bromide?
The molecular weight of Isometamidium bromide is 619.07 g/mol.
Where can I buy Isometamidium bromide?
You can request a quote for Isometamidium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isometamidium bromide?
Yes, KEHONG BIO provides custom synthesis services for Isometamidium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.