m-Iodobenzylguanidine sulfate
TL;DR: m-Iodobenzylguanidine sulfate (CAS 80663-96-3) is a chemical compound with molecular formula C8H12IN3O4S and molecular weight 372.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-iodophenyl)methyl]guanidine;sulfuric acid
Also Known As: Iobenguane sulfate, Iobenguane, 3-Iodobenzylguanidinium-sulfate, MIBG hemisulfate, MIBG
| Molecular Formula | C8H12IN3O4S |
|---|---|
| Molecular Weight | 372.96 g/mol |
| LogP | 0.4118 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.95932 |
| Heavy Atoms | 17 |
| Complexity | 477.29858 |
Chemical Identifiers
| CAS Number | 80663-96-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)CN=C(N)N.OS(=O)(=O)O |
Product Overview
m-Iodobenzylguanidine sulfate (CAS 80663-96-3), with molecular formula C8H12IN3O4S and molecular weight 372.96 g/mol. IUPAC: 2-[(3-iodophenyl)methyl]guanidine;sulfuric acid.
Chemical Property Profile of m-Iodobenzylguanidine sulfate
Property Insights of m-Iodobenzylguanidine sulfate
The XLogP value of 0.4118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Iodobenzylguanidine sulfate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Iodobenzylguanidine sulfate. Following Lipinski's Rule of Five, m-Iodobenzylguanidine sulfate has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of m-Iodobenzylguanidine sulfate?
The CAS number of m-Iodobenzylguanidine sulfate is 80663-96-3.
What is the molecular formula of m-Iodobenzylguanidine sulfate?
The molecular formula of m-Iodobenzylguanidine sulfate is C8H12IN3O4S.
What is the molecular weight of m-Iodobenzylguanidine sulfate?
The molecular weight of m-Iodobenzylguanidine sulfate is 372.96 g/mol.
Where can I buy m-Iodobenzylguanidine sulfate?
You can request a quote for m-Iodobenzylguanidine sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Iodobenzylguanidine sulfate?
Yes, KEHONG BIO provides custom synthesis services for m-Iodobenzylguanidine sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.