2-Chloro-4-heptylphenol
TL;DR: 2-Chloro-4-heptylphenol (CAS 18979-96-9) is a chemical compound with molecular formula C13H19ClO and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-heptylphenol
Also Known As: 2-chloro-4-heptylphenol, 4-Chloro-2-heptylphenol, J1.558.602H
| Molecular Formula | C13H19ClO |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.11244 |
| Heavy Atoms | 15 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 18979-96-9 |
|---|---|
| SMILES | CCCCCCCC1=CC(=C(C=C1)O)Cl |
| InChIKey | WKGVLAKHOLNXOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-heptylphenol (CAS 18979-96-9), with molecular formula C13H19ClO and molecular weight 226.11 g/mol. IUPAC: 2-chloro-4-heptylphenol.
Chemical Property Profile of 2-Chloro-4-heptylphenol
Property Insights of 2-Chloro-4-heptylphenol
The XLogP value of 5.6 indicates that 2-Chloro-4-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-Chloro-4-heptylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-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-Chloro-4-heptylphenol?
The CAS number of 2-Chloro-4-heptylphenol is 18979-96-9.
What is the molecular formula of 2-Chloro-4-heptylphenol?
The molecular formula of 2-Chloro-4-heptylphenol is C13H19ClO.
What is the molecular weight of 2-Chloro-4-heptylphenol?
The molecular weight of 2-Chloro-4-heptylphenol is 226.11 g/mol.
Where can I buy 2-Chloro-4-heptylphenol?
You can request a quote for 2-Chloro-4-heptylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-heptylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-heptylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.