4-Heptylresorcinol
TL;DR: 4-Heptylresorcinol (CAS 18979-65-2) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptylbenzene-1,3-diol
Also Known As: 4-heptylresorcinol, Heptylresorcinol, Di-hydranol, 4-heptylbenzene-1,3-diol, Resorcinol, 4-heptyl-
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 18979-65-2 |
|---|---|
| SMILES | CCCCCCCC1=C(C=C(C=C1)O)O |
| InChIKey | PFPZRMUCMKVUEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Heptylresorcinol (CAS 18979-65-2), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 4-heptylbenzene-1,3-diol.
Chemical Property Profile of 4-Heptylresorcinol
Property Insights of 4-Heptylresorcinol
The XLogP value of 4.0 indicates that 4-Heptylresorcinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Heptylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptylresorcinol has 2 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 4-Heptylresorcinol?
The CAS number of 4-Heptylresorcinol is 18979-65-2.
What is the molecular formula of 4-Heptylresorcinol?
The molecular formula of 4-Heptylresorcinol is C13H20O2.
What is the molecular weight of 4-Heptylresorcinol?
The molecular weight of 4-Heptylresorcinol is 208.15 g/mol.
Where can I buy 4-Heptylresorcinol?
You can request a quote for 4-Heptylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.