![Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) structure](/static/products/1397/139755-80-9.webp)
Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)
TL;DR: Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) (CAS 139755-80-9) is a chemical compound with molecular formula C8H12IN3O4S and molecular weight 368.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-(123I)iodophenyl)methyl]guanidine;sulfuric acid
Also Known As: 3-Iodobenzylguanidine, 123I-MIBG, Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1), 2-[(3-iodanylphenyl)methyl]guanidine; sulfuric acid
| Molecular Formula | C8H12IN3O4S |
|---|---|
| Molecular Weight | 368.96 g/mol |
| LogP | 0.4118 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.96045 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 139755-80-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[123I])CN=C(N)N.OS(=O)(=O)O |
| InChIKey | NMHJRGCKGFRFAQ-JZXKKTDRSA-N |
Product Overview
Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) (CAS 139755-80-9), with molecular formula C8H12IN3O4S and molecular weight 368.96 g/mol. IUPAC: 2-[(3-(123I)iodophenyl)methyl]guanidine;sulfuric acid.
Chemical Property Profile of Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)
Property Insights of Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)
The XLogP value of 0.4118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1). The TPSA of 147.0 Ų indicates high polarity, suggesting Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) has 4 hydrogen bond donor(s) and 5 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 Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)?
The CAS number of Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) is 139755-80-9.
What is the molecular formula of Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)?
The molecular formula of Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) is C8H12IN3O4S.
What is the molecular weight of Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)?
The molecular weight of Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) is 368.96 g/mol.
Where can I buy Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)?
You can request a quote for Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, [[3-(iodo-123I)phenyl]methyl]-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.