1-(3-Astatobenzyl)guanidine
TL;DR: 1-(3-Astatobenzyl)guanidine (CAS 127367-45-7) is a chemical compound with molecular formula C8H10AtN3 and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211
Also Known As: 211At-Mabg, 1-(m-Astatobenzyl)guanidine, 1-(3-Astatobenzyl)guanidine, J3.750.459I, N-{[3-(211At)astatanylphenyl]methyl}guanidine
| Molecular Formula | C8H10AtN3 |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | -0.3654 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.07498 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 127367-45-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[211At])CN=C(N)N |
| InChIKey | IYQVCXUVFGAHEZ-QBZHADDCSA-N |
Product Overview
1-(3-Astatobenzyl)guanidine (CAS 127367-45-7), with molecular formula C8H10AtN3 and molecular weight 359.07 g/mol. IUPAC: [3-[(diaminomethylideneamino)methyl]phenyl](211At)astatine-211.
Chemical Property Profile of 1-(3-Astatobenzyl)guanidine
Property Insights of 1-(3-Astatobenzyl)guanidine
The XLogP value of -0.3654 indicates that 1-(3-Astatobenzyl)guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Astatobenzyl)guanidine. Following Lipinski's Rule of Five, 1-(3-Astatobenzyl)guanidine has 2 hydrogen bond donor(s) and 1 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 1-(3-Astatobenzyl)guanidine?
The CAS number of 1-(3-Astatobenzyl)guanidine is 127367-45-7.
What is the molecular formula of 1-(3-Astatobenzyl)guanidine?
The molecular formula of 1-(3-Astatobenzyl)guanidine is C8H10AtN3.
What is the molecular weight of 1-(3-Astatobenzyl)guanidine?
The molecular weight of 1-(3-Astatobenzyl)guanidine is 359.07 g/mol.
Where can I buy 1-(3-Astatobenzyl)guanidine?
You can request a quote for 1-(3-Astatobenzyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Astatobenzyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Astatobenzyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.