Iretol
TL;DR: Iretol (CAS 487-71-8) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxybenzene-1,3,5-triol
Also Known As: IRETOL, 2-methoxybenzene-1,3,5-triol, 2-Methoxy-phloroglucinol, 2-METHOXY-BENZENE-1,3,5-TRIOL, Spectrum2_000202
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.812 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 246.13824 |
Chemical Identifiers
| CAS Number | 487-71-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1O)O)O |
Product Overview
Iretol (CAS 487-71-8), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 2-methoxybenzene-1,3,5-triol.
Chemical Property Profile of Iretol
Property Insights of Iretol
The XLogP value of 0.812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iretol. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Iretol. Following Lipinski's Rule of Five, Iretol has 3 hydrogen bond donor(s) and 4 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 Iretol?
The CAS number of Iretol is 487-71-8.
What is the molecular formula of Iretol?
The molecular formula of Iretol is C7H8O4.
What is the molecular weight of Iretol?
The molecular weight of Iretol is 156.04 g/mol.
Where can I buy Iretol?
You can request a quote for Iretol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iretol?
Yes, KEHONG BIO provides custom synthesis services for Iretol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.