4-Propylguaiacol
TL;DR: 4-Propylguaiacol (CAS 2785-87-7) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-propylphenol
Also Known As: Dihydroeugenol, 2-METHOXY-4-PROPYLPHENOL, 4-Propylguaiacol, Guaiacylpropane, Coerulignol
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
| Boiling Point | 125.00 to 126.00 °C. @ 14.00 mm Hg |
| Density | 1.034-1.040 |
| Solubility | slightly soluble in water; soluble in fat |
| Refractive Index | 1.520-1.525 |
Chemical Identifiers
| CAS Number | 2785-87-7 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1)O)OC |
| InChIKey | PXIKRTCSSLJURC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Propylguaiacol (CAS 2785-87-7), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 2-methoxy-4-propylphenol.
Chemical Property Profile of 4-Propylguaiacol
Property Insights of 4-Propylguaiacol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Propylguaiacol. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Propylguaiacol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propylguaiacol has 1 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-Propylguaiacol?
The CAS number of 4-Propylguaiacol is 2785-87-7.
What is the molecular formula of 4-Propylguaiacol?
The molecular formula of 4-Propylguaiacol is C10H14O2.
What is the molecular weight of 4-Propylguaiacol?
The molecular weight of 4-Propylguaiacol is 166.10 g/mol.
Where can I buy 4-Propylguaiacol?
You can request a quote for 4-Propylguaiacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propylguaiacol?
Yes, KEHONG BIO provides custom synthesis services for 4-Propylguaiacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.