5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole
TL;DR: 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole (CAS 87427-29-0) is a chemical compound with molecular formula C10H7I3N4 and molecular weight 563.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2-(2,3,3-triiodoprop-2-enyl)tetrazole
Also Known As: 2-(2',3',3'-triiodoallyl)-5-phenyltetrazole, 5-phenyl-2-(2,3,3-triiodoallyl)tetrazole, 5-phenyl-2-(2,3,3-triiodoprop-2-enyl)tetrazole, 2H-Tetrazole, 5-phenyl-2-(2,3,3-triiodo-2-propenyl)-
| Molecular Formula | C10H7I3N4 |
|---|---|
| Molecular Weight | 563.78 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 563.7805 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 87427-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(N=N2)CC(=C(I)I)I |
| InChIKey | QQNUCMKNUXKCPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole (CAS 87427-29-0), with molecular formula C10H7I3N4 and molecular weight 563.78 g/mol. IUPAC: 5-phenyl-2-(2,3,3-triiodoprop-2-enyl)tetrazole.
Chemical Property Profile of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole
Property Insights of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole
The XLogP value of 4.9 indicates that 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole?
The CAS number of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole is 87427-29-0.
What is the molecular formula of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole?
The molecular formula of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole is C10H7I3N4.
What is the molecular weight of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole?
The molecular weight of 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole is 563.78 g/mol.
Where can I buy 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole?
You can request a quote for 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.