Quaternium 15
TL;DR: Quaternium 15 (CAS 4080-31-3) is a chemical compound with molecular formula C9H16Cl2N4 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
Also Known As: Dowicide Q, Quaternium 15, Dowicil 100, Cinartc 200, CTAC
| Molecular Formula | C9H16Cl2N4 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | -2.75 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0752 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| Melting Point | 178-210 °C |
| Boiling Point | Decomposes above 60 °C |
| Density | 0.4 g/cu cm (bulk density) |
| Solubility | greater than 100 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | <1.0X10-7 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 4080-31-3 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-] |
| InChIKey | UKHVLWKBNNSRRR-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quaternium 15 (CAS 4080-31-3), with molecular formula C9H16Cl2N4 and molecular weight 250.08 g/mol. IUPAC: 1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride.
Chemical Property Profile of Quaternium 15
Property Insights of Quaternium 15
The XLogP value of -2.75 indicates that Quaternium 15 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.7 Ų, Quaternium 15 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quaternium 15 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 Quaternium 15?
The CAS number of Quaternium 15 is 4080-31-3.
What is the molecular formula of Quaternium 15?
The molecular formula of Quaternium 15 is C9H16Cl2N4.
What is the molecular weight of Quaternium 15?
The molecular weight of Quaternium 15 is 250.08 g/mol.
Where can I buy Quaternium 15?
You can request a quote for Quaternium 15 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quaternium 15?
Yes, KEHONG BIO provides custom synthesis services for Quaternium 15 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.