焦棓酚
TL;DR: 焦棓酚 (CAS 87-66-1) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
焦棓酚
benzene-1,2,3-triol
Also Known As: pyrogallol, benzene-1,2,3-triol, pyrogallic acid, 1,2,3-trihydroxybenzene, 1,2,3-benzenetriol
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| Melting Point | 271 to 133.9 °C |
| Boiling Point | 308.9 °C at 760 mmHg (Decomposes at 292.8 °C) |
| Density | 1.45 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 77 °F (NTP, 1992) |
| Vapor Pressure | 10 mmHg at 167.7 °C |
| Refractive Index | 1.561 at 134 °C |
Chemical Identifiers
| CAS Number | 87-66-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)O)O |
| InChIKey | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
焦棓酚 (CAS 87-66-1), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: benzene-1,2,3-triol.
Chemical Property Profile of 焦棓酚
Property Insights of 焦棓酚
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 焦棓酚. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 焦棓酚. Following Lipinski's Rule of Five, 焦棓酚 has 3 hydrogen bond donor(s) and 3 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 焦棓酚?
The CAS number of 焦棓酚 is 87-66-1.
What is the molecular formula of 焦棓酚?
The molecular formula of 焦棓酚 is C6H6O3.
What is the molecular weight of 焦棓酚?
The molecular weight of 焦棓酚 is 126.03 g/mol.
Where can I buy 焦棓酚?
You can request a quote for 焦棓酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 焦棓酚?
Yes, KEHONG BIO provides custom synthesis services for 焦棓酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.