2-Heptylphenol
TL;DR: 2-Heptylphenol (CAS 5284-22-0) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylphenol
Also Known As: 2-Heptylphenol, Phenol, heptyl-, o-Heptylphenol, o-n-Heptylphenol, n-heptylphenol
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 5284-22-0 |
|---|---|
| SMILES | CCCCCCCC1=CC=CC=C1O |
| InChIKey | FIWYWGLEPWBBQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Heptylphenol (CAS 5284-22-0), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 2-heptylphenol.
Chemical Property Profile of 2-Heptylphenol
Property Insights of 2-Heptylphenol
The XLogP value of 5.1 indicates that 2-Heptylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Heptylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptylphenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Heptylphenol?
The CAS number of 2-Heptylphenol is 5284-22-0.
What is the molecular formula of 2-Heptylphenol?
The molecular formula of 2-Heptylphenol is C13H20O.
What is the molecular weight of 2-Heptylphenol?
The molecular weight of 2-Heptylphenol is 192.15 g/mol.
Where can I buy 2-Heptylphenol?
You can request a quote for 2-Heptylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.