1-(4-Iodophenyl)-3-(1-adamantyl)guanidine
TL;DR: 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine (CAS 133985-85-0) is a chemical compound with molecular formula C17H22IN3 and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-1-(4-iodophenyl)guanidine
Also Known As: PIPAG, 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine, I(125)-Pipag, [125I]-PIPAG, 2-(1-adamantyl)-1-(4-iodophenyl)guanidine
| Molecular Formula | C17H22IN3 |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.08585 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 133985-85-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N=C(N)NC4=CC=C(C=C4)I |
| InChIKey | BNRDJYCVXAIEIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Iodophenyl)-3-(1-adamantyl)guanidine (CAS 133985-85-0), with molecular formula C17H22IN3 and molecular weight 395.09 g/mol. IUPAC: 2-(1-adamantyl)-1-(4-iodophenyl)guanidine.
Chemical Property Profile of 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine
Property Insights of 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine
The XLogP value of 3.9 indicates that 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Iodophenyl)-3-(1-adamantyl)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-(4-Iodophenyl)-3-(1-adamantyl)guanidine?
The CAS number of 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine is 133985-85-0.
What is the molecular formula of 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine?
The molecular formula of 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine is C17H22IN3.
What is the molecular weight of 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine?
The molecular weight of 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine is 395.09 g/mol.
Where can I buy 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine?
You can request a quote for 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Iodophenyl)-3-(1-adamantyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.