Triton X 100
TL;DR: Triton X 100 (CAS 2315-67-5) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Also Known As: Triton X-100, Octoxinol, Triton X, Octoxynol 9, Octoxynol
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2315-67-5 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO |
| InChIKey | JYCQQPHGFMYQCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triton X 100 (CAS 2315-67-5), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol.
Chemical Property Profile of Triton X 100
Property Insights of Triton X 100
The XLogP value of 4.6 indicates that Triton X 100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Triton X 100 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triton X 100 has 1 hydrogen bond donor(s) and 2 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 Triton X 100?
The CAS number of Triton X 100 is 2315-67-5.
What is the molecular formula of Triton X 100?
The molecular formula of Triton X 100 is C16H26O2.
What is the molecular weight of Triton X 100?
The molecular weight of Triton X 100 is 250.19 g/mol.
Where can I buy Triton X 100?
You can request a quote for Triton X 100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triton X 100?
Yes, KEHONG BIO provides custom synthesis services for Triton X 100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.