Hexamethylene tetramine allyliodide
TL;DR: Hexamethylene tetramine allyliodide (CAS 36895-62-2) is a chemical compound with molecular formula C9H17IN4 and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoprop-1-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: Hexamethylene tetramine allyliodide, Hexamethylenetetramine allyl iodide, HEXAMETHYLENETETRAMINE, COMPOUND WITH ALLYL IODIDE, 3-iodoprop-1-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane, 1,5,7-TETRAAZATRICYCLO[3.3.1.1]DECANE, COMPOUND WITH 3-IODO-1-PROPENE (1:1)
| Molecular Formula | C9H17IN4 |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 0.5876 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.0498 |
| Heavy Atoms | 14 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 36895-62-2 |
|---|---|
| SMILES | C=CCI.C1N2CN3CN1CN(C2)C3 |
| InChIKey | OPHBTYIWBTXNKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexamethylene tetramine allyliodide (CAS 36895-62-2), with molecular formula C9H17IN4 and molecular weight 308.05 g/mol. IUPAC: 3-iodoprop-1-ene;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of Hexamethylene tetramine allyliodide
Property Insights of Hexamethylene tetramine allyliodide
The XLogP value of 0.5876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexamethylene tetramine allyliodide. With a topological polar surface area (TPSA) of 13.0 Ų, Hexamethylene tetramine allyliodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylene tetramine allyliodide has 0 hydrogen bond donor(s) and 4 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 Hexamethylene tetramine allyliodide?
The CAS number of Hexamethylene tetramine allyliodide is 36895-62-2.
What is the molecular formula of Hexamethylene tetramine allyliodide?
The molecular formula of Hexamethylene tetramine allyliodide is C9H17IN4.
What is the molecular weight of Hexamethylene tetramine allyliodide?
The molecular weight of Hexamethylene tetramine allyliodide is 308.05 g/mol.
Where can I buy Hexamethylene tetramine allyliodide?
You can request a quote for Hexamethylene tetramine allyliodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethylene tetramine allyliodide?
Yes, KEHONG BIO provides custom synthesis services for Hexamethylene tetramine allyliodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.