2,6-Cyclohexadiene-1,2-diol
TL;DR: 2,6-Cyclohexadiene-1,2-diol (CAS 501422-91-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexa-2,6-diene-1,2-diol
Also Known As: 2,6-cyclohexadiene-1,2-diol, cyclohexa-2,6-diene-1,2-diol, 2,3-Dihydroxy-1,3-cyclohexadiene, 1,2-CYCLOHEXANEDIONE,ENOL FORM, InChI=1/C6H8O2/c7-5-3-1-2-4-6(5)8/h3-4,7-8H,1-2H
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 501422-91-9 |
|---|---|
| SMILES | C1CC=C(C(=C1)O)O |
| InChIKey | BHNBOXYNHDEBLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Cyclohexadiene-1,2-diol (CAS 501422-91-9), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: cyclohexa-2,6-diene-1,2-diol.
Chemical Property Profile of 2,6-Cyclohexadiene-1,2-diol
Property Insights of 2,6-Cyclohexadiene-1,2-diol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Cyclohexadiene-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,6-Cyclohexadiene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Cyclohexadiene-1,2-diol 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 2,6-Cyclohexadiene-1,2-diol?
The CAS number of 2,6-Cyclohexadiene-1,2-diol is 501422-91-9.
What is the molecular formula of 2,6-Cyclohexadiene-1,2-diol?
The molecular formula of 2,6-Cyclohexadiene-1,2-diol is C6H8O2.
What is the molecular weight of 2,6-Cyclohexadiene-1,2-diol?
The molecular weight of 2,6-Cyclohexadiene-1,2-diol is 112.05 g/mol.
Where can I buy 2,6-Cyclohexadiene-1,2-diol?
You can request a quote for 2,6-Cyclohexadiene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Cyclohexadiene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Cyclohexadiene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.