4-n-Heptylphenol
TL;DR: 4-n-Heptylphenol (CAS 1987-50-4) 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.
4-heptylphenol
Also Known As: 4-HEPTYLPHENOL, 4-n-Heptylphenol, p-Heptylphenol, Phenol, 4-heptyl-, p-Hydroxyheptylbenzene
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 4.8 |
| 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 | 125.0 |
Chemical Identifiers
| CAS Number | 1987-50-4 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)O |
| InChIKey | KNDDEFBFJLKPFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-n-Heptylphenol (CAS 1987-50-4), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4-heptylphenol.
Chemical Property Profile of 4-n-Heptylphenol
Property Insights of 4-n-Heptylphenol
The XLogP value of 4.8 indicates that 4-n-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, 4-n-Heptylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-n-Heptylphenol 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 4-n-Heptylphenol?
The CAS number of 4-n-Heptylphenol is 1987-50-4.
What is the molecular formula of 4-n-Heptylphenol?
The molecular formula of 4-n-Heptylphenol is C13H20O.
What is the molecular weight of 4-n-Heptylphenol?
The molecular weight of 4-n-Heptylphenol is 192.15 g/mol.
Where can I buy 4-n-Heptylphenol?
You can request a quote for 4-n-Heptylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-n-Heptylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-n-Heptylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.