Octaphen
TL;DR: Octaphen (CAS 78-05-7) is a chemical compound with molecular formula C27H42ClNO and molecular weight 431.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium chloride
Also Known As: Octaphen, Octafonium chloride, Phenoctide, Octaphonium chloride, Phenoctidiumchlorid
| Molecular Formula | C27H42ClNO |
|---|---|
| Molecular Weight | 431.30 g/mol |
| LogP | 3.84 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.2955 |
| Heavy Atoms | 30 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 78-05-7 |
|---|---|
| SMILES | CC[N+](CC)(CCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)CC2=CC=CC=C2.[Cl-] |
| InChIKey | DPECLNSLLIQJJO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octaphen (CAS 78-05-7), with molecular formula C27H42ClNO and molecular weight 431.30 g/mol. IUPAC: benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium chloride.
Chemical Property Profile of Octaphen
Property Insights of Octaphen
The XLogP value of 3.84 indicates that Octaphen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Octaphen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octaphen has 0 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 Octaphen?
The CAS number of Octaphen is 78-05-7.
What is the molecular formula of Octaphen?
The molecular formula of Octaphen is C27H42ClNO.
What is the molecular weight of Octaphen?
The molecular weight of Octaphen is 431.30 g/mol.
Where can I buy Octaphen?
You can request a quote for Octaphen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octaphen?
Yes, KEHONG BIO provides custom synthesis services for Octaphen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.