2-Chloro-4-hexylphenol
TL;DR: 2-Chloro-4-hexylphenol (CAS 21708-29-2) is a chemical compound with molecular formula C12H17ClO and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-hexylphenol
Also Known As: 2-chloro-4-hexylphenol, Phenol, 2-chloro-4-hexyl-
| Molecular Formula | C12H17ClO |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.09679 |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 21708-29-2 |
|---|---|
| SMILES | CCCCCCC1=CC(=C(C=C1)O)Cl |
| InChIKey | CILHYLRKAGMYJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-hexylphenol (CAS 21708-29-2), with molecular formula C12H17ClO and molecular weight 212.10 g/mol. IUPAC: 2-chloro-4-hexylphenol.
Chemical Property Profile of 2-Chloro-4-hexylphenol
Property Insights of 2-Chloro-4-hexylphenol
The XLogP value of 5.0 indicates that 2-Chloro-4-hexylphenol 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-hexylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-hexylphenol has 1 hydrogen bond donor(s) and 1 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 2-Chloro-4-hexylphenol?
The CAS number of 2-Chloro-4-hexylphenol is 21708-29-2.
What is the molecular formula of 2-Chloro-4-hexylphenol?
The molecular formula of 2-Chloro-4-hexylphenol is C12H17ClO.
What is the molecular weight of 2-Chloro-4-hexylphenol?
The molecular weight of 2-Chloro-4-hexylphenol is 212.10 g/mol.
Where can I buy 2-Chloro-4-hexylphenol?
You can request a quote for 2-Chloro-4-hexylphenol 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-hexylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-hexylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.