Isometamidium mesylate
TL;DR: Isometamidium mesylate (CAS 40368-44-3) is a chemical compound with molecular formula C29H29N7O3S and molecular weight 555.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;methanesulfonate
Also Known As: Isometamidium mesylate, Isometamidium methanesulfonate, ISOMETAMIDIUM MESILATE, 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;methanesulfonate, 3-amino-8-[(1e)-3-(3-carbamimidoylphenyl)triaz-1-en-1-yl]-5-ethyl-6-phenylphenanthridinium methanesulfonate
| Molecular Formula | C29H29N7O3S |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | 5.10587 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.20526 |
| Heavy Atoms | 40 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 40368-44-3 |
|---|---|
| SMILES | CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N.CS(=O)(=O)[O-] |
| InChIKey | SNMWNEQGAIYVQF-UHFFFAOYSA-N |
Product Overview
Isometamidium mesylate (CAS 40368-44-3), with molecular formula C29H29N7O3S and molecular weight 555.21 g/mol. IUPAC: 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;methanesulfonate.
Chemical Property Profile of Isometamidium mesylate
Property Insights of Isometamidium mesylate
The XLogP value of 5.10587 indicates that Isometamidium mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting Isometamidium mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isometamidium mesylate has 4 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 Isometamidium mesylate?
The CAS number of Isometamidium mesylate is 40368-44-3.
What is the molecular formula of Isometamidium mesylate?
The molecular formula of Isometamidium mesylate is C29H29N7O3S.
What is the molecular weight of Isometamidium mesylate?
The molecular weight of Isometamidium mesylate is 555.21 g/mol.
Where can I buy Isometamidium mesylate?
You can request a quote for Isometamidium mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isometamidium mesylate?
Yes, KEHONG BIO provides custom synthesis services for Isometamidium mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.